1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine

C22H32N2 — CID 44536497

IUPAC1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESCCCCCCN1CCC(NCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H32N2/c1-2-3-4-7-15-24-16-13-21(14-17-24)23-18-20-11-8-10-19-9-5-6-12-22(19)20/h5-6,8-12,21,23H,2-4,7,13-18H2,1H3
InChIKeyUXRBZGDWOUEMHB-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.97
Rot. Bonds8

About 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine

1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine (PubChem CID 44536497) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
PubChem CID44536497
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESCCCCCCN1CCC(NCc2cccc3ccccc23)CC1
InChIInChI=1S/C22H32N2/c1-2-3-4-7-15-24-16-13-21(14-17-24)23-18-20-11-8-10-19-9-5-6-12-22(19)20/h5-6,8-12,21,23H,2-4,7,13-18H2,1H3
InChIKeyUXRBZGDWOUEMHB-UHFFFAOYSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.97
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

1-ethyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 60657910
1-(naphthalen-1-ylmethyl)-N-propylpiperidin-4-amine
CID 60820486
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
(2S,4S)-4-(naphthalen-1-ylmethylamino)-N-propan-2-yl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 45218895
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine (CID 44536497) is 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine is CCCCCCN1CCC(NCc2cccc3ccccc23)CC1.
What is the InChIKey of 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The InChIKey is UXRBZGDWOUEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-2-3-4-7-15-24-16-13-21(14-17-24)23-18-20-11-8-10-19-9-5-6-12-22(19)20/h5-6,8-12,21,23H,2-4,7,13-18H2,1H3.
What are the key properties of 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine has a molecular weight of 324.51 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 44536497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).