(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine

C21H44N2O — CID 134177721

IUPAC(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
SMILESCCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](OC)C1
InChIInChI=1S/C21H44N2O/c1-4-6-8-10-12-14-19(15-13-11-9-7-5-2)23-17-16-20(22)21(18-23)24-3/h19-21H,4-18,22H2,1-3H3/t20-,21-/m1/s1
InChIKeyOMDUPKSIPUSUGQ-NHCUHLMSSA-N
MW340.60 g/mol
LogP5.12
Rot. Bonds14

About (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine

(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine (PubChem CID 134177721) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
PubChem CID134177721
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine
SMILESCCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](OC)C1
InChIInChI=1S/C21H44N2O/c1-4-6-8-10-12-14-19(15-13-11-9-7-5-2)23-17-16-20(22)21(18-23)24-3/h19-21H,4-18,22H2,1-3H3/t20-,21-/m1/s1
InChIKeyOMDUPKSIPUSUGQ-NHCUHLMSSA-N
XLogP5.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.12
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

(3S,4R)-3,4-dimethoxy-1-pentadecan-8-ylpyrrolidine
CID 126672077
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
4-methyl-1-pentadecan-8-ylpiperidine
CID 129306753
(3R)-N,N-dimethyl-1-tetradecan-7-ylpyrrolidin-3-amine
CID 166754113
1-(1-tetradecan-7-ylpyrrolidin-3-yl)cyclopropan-1-amine
CID 155392460
1-octadecan-4-ylaziridine
CID 87223215
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine?
The IUPAC name of (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine (CID 134177721) is (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine is CCCCCCCC(CCCCCCC)N1CC[C@@H](N)[C@H](OC)C1.
What is the InChIKey of (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine?
The InChIKey is OMDUPKSIPUSUGQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H44N2O/c1-4-6-8-10-12-14-19(15-13-11-9-7-5-2)23-17-16-20(22)21(18-23)24-3/h19-21H,4-18,22H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine?
(3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine has a molecular weight of 340.60 g/mol, XLogP of 5.12, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-1-pentadecan-8-ylpiperidin-4-amine is sourced from PubChem (CID 134177721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).