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

C66H140N6O6 — CID 158440881

IUPAC1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCC(C(C)C)CC1.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C
InChIInChI=1S/C14H29NO.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)14-6-9-15(10-7-14)8-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-14H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1
InChIKeyHCUKFDPZVQOEHK-DYWLQACDSA-N
MW1113.88 g/mol
LogP13.39
Rot. Bonds29

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

1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine (PubChem CID 158440881) has the molecular formula C66H140N6O6 and a molecular weight of 1113.88 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
PubChem CID158440881
Molecular FormulaC66H140N6O6
Molecular Weight1113.88 g/mol
Exact Mass1113.08
IUPAC Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCC(C)OCCCN1CCC(C(C)C)CC1.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C
InChIInChI=1S/C14H29NO.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)14-6-9-15(10-7-14)8-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-14H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1
InChIKeyHCUKFDPZVQOEHK-DYWLQACDSA-N
XLogP13.39
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.88
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine (CID 158440881) is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine is CC(C)OCCCN1CCC(C(C)C)CC1.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C.
What is the InChIKey of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is HCUKFDPZVQOEHK-DYWLQACDSA-N. The full InChI is InChI=1S/C14H29NO.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)14-6-9-15(10-7-14)8-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-14H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1.
What are the key properties of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 1113.88 g/mol, XLogP of 13.39, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;4-propan-2-yl-1-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 158440881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).