1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

C96H202N10O8 — CID 157398119

IUPAC1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCN1CCCCC1C.CC(C)OCCCN1CCCC[C@@H]1C.CC(C)OCCCN1CCCC[C@H]1C.CC(C)OCCCN1CCC[C@@H](C)C1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1
InChIInChI=1S/C13H28N2O.6C12H25NO.C11H24N2O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;3*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;3*1-11(2)14-10-6-9-13-8-5-4-7-12(13)3;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13/h12-13H,5-11H2,1-4H3;6*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3/t;2*12-;;2*12-;;/m.10.10../s1
InChIKeyBMUYHZATAWOTFE-HZGBCDBFSA-N
MW1624.73 g/mol
LogP18.50
Rot. Bonds41

About 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (PubChem CID 157398119) has the molecular formula C96H202N10O8 and a molecular weight of 1624.73 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
PubChem CID157398119
Molecular FormulaC96H202N10O8
Molecular Weight1624.73 g/mol
Exact Mass1623.57
IUPAC Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCN1CCCCC1C.CC(C)OCCCN1CCCC[C@@H]1C.CC(C)OCCCN1CCCC[C@H]1C.CC(C)OCCCN1CCC[C@@H](C)C1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1
InChIInChI=1S/C13H28N2O.6C12H25NO.C11H24N2O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;3*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;3*1-11(2)14-10-6-9-13-8-5-4-7-12(13)3;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13/h12-13H,5-11H2,1-4H3;6*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3/t;2*12-;;2*12-;;/m.10.10../s1
InChIKeyBMUYHZATAWOTFE-HZGBCDBFSA-N
XLogP18.50
TPSA106.24 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001624.73
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (CID 157398119) is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is CC(C)OCCCN1CCCCC1C.CC(C)OCCCN1CCCC[C@@H]1C.CC(C)OCCCN1CCCC[C@H]1C.CC(C)OCCCN1CCC[C@@H](C)C1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.
What is the InChIKey of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The InChIKey is BMUYHZATAWOTFE-HZGBCDBFSA-N. The full InChI is InChI=1S/C13H28N2O.6C12H25NO.C11H24N2O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;3*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;3*1-11(2)14-10-6-9-13-8-5-4-7-12(13)3;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13/h12-13H,5-11H2,1-4H3;6*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3/t;2*12-;;2*12-;;/m.10.10../s1.
What are the key properties of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine has a molecular weight of 1624.73 g/mol, XLogP of 18.50, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3R)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is sourced from PubChem (CID 157398119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).