7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine

C27H48N2 — CID 19026114

IUPAC7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
SMILESCC(C)CCC(CCCc1ccccc1)NCCCCCCCN1CCCCC1
InChIInChI=1S/C27H48N2/c1-25(2)19-20-27(18-14-17-26-15-8-6-9-16-26)28-21-10-4-3-5-11-22-29-23-12-7-13-24-29/h6,8-9,15-16,25,27-28H,3-5,7,10-14,17-24H2,1-2H3
InChIKeyFMUQDQLPBLMECF-UHFFFAOYSA-N
MW400.70 g/mol
LogP6.84
Rot. Bonds16

About 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine

7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine (PubChem CID 19026114) has the molecular formula C27H48N2 and a molecular weight of 400.70 g/mol. Its IUPAC name is 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine.

Molecular Properties

Compound Name7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
PubChem CID19026114
Molecular FormulaC27H48N2
Molecular Weight400.70 g/mol
Exact Mass400.38
IUPAC Name7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine
SMILESCC(C)CCC(CCCc1ccccc1)NCCCCCCCN1CCCCC1
InChIInChI=1S/C27H48N2/c1-25(2)19-20-27(18-14-17-26-15-8-6-9-16-26)28-21-10-4-3-5-11-22-29-23-12-7-13-24-29/h6,8-9,15-16,25,27-28H,3-5,7,10-14,17-24H2,1-2H3
InChIKeyFMUQDQLPBLMECF-UHFFFAOYSA-N
XLogP6.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
2,8-dimethyl-N-(7-piperazin-1-ylheptyl)nonan-5-amine
CID 70378610
(1R,2R)-5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834651
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine?
The IUPAC name of 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine (CID 19026114) is 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine.
What is the SMILES notation for 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine?
The canonical SMILES for 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine is CC(C)CCC(CCCc1ccccc1)NCCCCCCCN1CCCCC1.
What is the InChIKey of 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine?
The InChIKey is FMUQDQLPBLMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2/c1-25(2)19-20-27(18-14-17-26-15-8-6-9-16-26)28-21-10-4-3-5-11-22-29-23-12-7-13-24-29/h6,8-9,15-16,25,27-28H,3-5,7,10-14,17-24H2,1-2H3.
What are the key properties of 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine?
7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine has a molecular weight of 400.70 g/mol, XLogP of 6.84, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-N-(7-piperidin-1-ylheptyl)octan-4-amine is sourced from PubChem (CID 19026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).