(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile

C21H41N3 — CID 134267182

IUPAC(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
SMILESCCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](C#N)C1
InChIInChI=1S/C21H41N3/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)24-16-15-21(23)19(17-22)18-24/h19-21H,3-16,18,23H2,1-2H3/t19-,21-/m1/s1
InChIKeyPCORNHNHQXRUSP-TZIWHRDSSA-N
MW335.58 g/mol
LogP5.25
Rot. Bonds13

About (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile

(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile (PubChem CID 134267182) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
PubChem CID134267182
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
SMILESCCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](C#N)C1
InChIInChI=1S/C21H41N3/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)24-16-15-21(23)19(17-22)18-24/h19-21H,3-16,18,23H2,1-2H3/t19-,21-/m1/s1
InChIKeyPCORNHNHQXRUSP-TZIWHRDSSA-N
XLogP5.25
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
CID 134177721
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
1-octadecan-4-ylaziridine
CID 87223215
1-heptan-3-ylpiperidine-4-carbonitrile
CID 123605422
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)nonan-1-amine
CID 43620229
(1-tridecan-6-ylazetidin-3-yl)methanamine
CID 134177714
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)octan-1-amine
CID 81198327
1-undecan-5-ylpiperidine
CID 174506253

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile?
The IUPAC name of (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile (CID 134267182) is (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile.
What is the SMILES notation for (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile?
The canonical SMILES for (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile is CCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](C#N)C1.
What is the InChIKey of (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile?
The InChIKey is PCORNHNHQXRUSP-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H41N3/c1-3-5-7-9-11-13-20(14-12-10-8-6-4-2)24-16-15-21(23)19(17-22)18-24/h19-21H,3-16,18,23H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile?
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile has a molecular weight of 335.58 g/mol, XLogP of 5.25, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 134267182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).