1-pentadecan-8-ylpiperidin-4-amine

C20H42N2 — CID 134177605

IUPAC1-pentadecan-8-ylpiperidin-4-amine
SMILESCCCCCCCC(CCCCCCC)N1CCC(N)CC1
InChIInChI=1S/C20H42N2/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)22-17-15-19(21)16-18-22/h19-20H,3-18,21H2,1-2H3
InChIKeyYHQNRUMNEBZJJT-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.50
Rot. Bonds13

About 1-pentadecan-8-ylpiperidin-4-amine

1-pentadecan-8-ylpiperidin-4-amine (PubChem CID 134177605) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-pentadecan-8-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-pentadecan-8-ylpiperidin-4-amine
PubChem CID134177605
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name1-pentadecan-8-ylpiperidin-4-amine
SMILESCCCCCCCC(CCCCCCC)N1CCC(N)CC1
InChIInChI=1S/C20H42N2/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)22-17-15-19(21)16-18-22/h19-20H,3-18,21H2,1-2H3
InChIKeyYHQNRUMNEBZJJT-UHFFFAOYSA-N
XLogP5.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.50
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-heptan-4-ylpiperidin-4-amine
CID 29009442
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
1-octadecan-4-ylaziridine
CID 87223215
(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
CID 134177721
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
1-undecan-5-ylpiperidine
CID 174506253
1-hexadecan-5-ylpiperidine
CID 175488405
(3R,4R)-3,4-difluoro-1-pentadecan-8-ylpyrrolidine
CID 166714700
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460

Frequently Asked Questions

What is the IUPAC name of 1-pentadecan-8-ylpiperidin-4-amine?
The IUPAC name of 1-pentadecan-8-ylpiperidin-4-amine (CID 134177605) is 1-pentadecan-8-ylpiperidin-4-amine.
What is the SMILES notation for 1-pentadecan-8-ylpiperidin-4-amine?
The canonical SMILES for 1-pentadecan-8-ylpiperidin-4-amine is CCCCCCCC(CCCCCCC)N1CCC(N)CC1.
What is the InChIKey of 1-pentadecan-8-ylpiperidin-4-amine?
The InChIKey is YHQNRUMNEBZJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)22-17-15-19(21)16-18-22/h19-20H,3-18,21H2,1-2H3.
What are the key properties of 1-pentadecan-8-ylpiperidin-4-amine?
1-pentadecan-8-ylpiperidin-4-amine has a molecular weight of 310.57 g/mol, XLogP of 5.50, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecan-8-ylpiperidin-4-amine is sourced from PubChem (CID 134177605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).