methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)

C93H195N9O8 — CID 159352986

IUPACmethane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)
SMILESC.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCCCC1.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)CC1.CC(C)OCCN1CC2(CCC2)C1
InChIInChI=1S/4C12H25NO.C11H24N2O.C11H21NO.2C11H23NO.CH4/c2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;2*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;1-10(2)13-7-6-12-8-11(9-12)4-3-5-11;2*1-11(2)13-10-6-9-12-7-4-3-5-8-12;/h4*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;2*11H,3-10H2,1-2H3;1H4/t4*12-;;;;;/m1010...../s1
InChIKeyLHOHNSPTGDKEMR-JWLUPPBXSA-N
MW1567.64 g/mol
LogP18.58
Rot. Bonds39

About methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)

methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) (PubChem CID 159352986) has the molecular formula C93H195N9O8 and a molecular weight of 1567.64 g/mol. Its IUPAC name is methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine).

Molecular Properties

Compound Namemethane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)
PubChem CID159352986
Molecular FormulaC93H195N9O8
Molecular Weight1567.64 g/mol
Exact Mass1566.51
IUPAC Namemethane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)
SMILESC.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCCCC1.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)CC1.CC(C)OCCN1CC2(CCC2)C1
InChIInChI=1S/4C12H25NO.C11H24N2O.C11H21NO.2C11H23NO.CH4/c2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;2*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;1-10(2)13-7-6-12-8-11(9-12)4-3-5-11;2*1-11(2)13-10-6-9-12-7-4-3-5-8-12;/h4*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;2*11H,3-10H2,1-2H3;1H4/t4*12-;;;;;/m1010...../s1
InChIKeyLHOHNSPTGDKEMR-JWLUPPBXSA-N
XLogP18.58
TPSA103.00 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds39
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.64
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)?
The IUPAC name of methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) (CID 159352986) is methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine).
What is the SMILES notation for methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)?
The canonical SMILES for methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) is C.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCCCC1.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)CC1.CC(C)OCCN1CC2(CCC2)C1.
What is the InChIKey of methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)?
The InChIKey is LHOHNSPTGDKEMR-JWLUPPBXSA-N. The full InChI is InChI=1S/4C12H25NO.C11H24N2O.C11H21NO.2C11H23NO.CH4/c2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;2*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;1-10(2)13-7-6-12-8-11(9-12)4-3-5-11;2*1-11(2)13-10-6-9-12-7-4-3-5-8-12;/h4*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;2*11H,3-10H2,1-2H3;1H4/t4*12-;;;;;/m1010...../s1.
What are the key properties of methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine)?
methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) has a molecular weight of 1567.64 g/mol, XLogP of 18.58, 39 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;(2S)-2-methyl-1-(3-propan-2-yloxypropyl)piperidine;(2R)-2-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;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;bis(1-(3-propan-2-yloxypropyl)piperidine) is sourced from PubChem (CID 159352986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).