1-dodecyl-N-ethylpiperidin-4-amine

C19H40N2 — CID 63400728

IUPAC1-dodecyl-N-ethylpiperidin-4-amine
SMILESCCCCCCCCCCCCN1CCC(NCC)CC1
InChIInChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20-4-2/h19-20H,3-18H2,1-2H3
InChIKeyWJBBZQWHTKWZCB-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.98
Rot. Bonds13

About 1-dodecyl-N-ethylpiperidin-4-amine

1-dodecyl-N-ethylpiperidin-4-amine (PubChem CID 63400728) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-dodecyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-dodecyl-N-ethylpiperidin-4-amine
PubChem CID63400728
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-dodecyl-N-ethylpiperidin-4-amine
SMILESCCCCCCCCCCCCN1CCC(NCC)CC1
InChIInChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20-4-2/h19-20H,3-18H2,1-2H3
InChIKeyWJBBZQWHTKWZCB-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-dodecyl-N-ethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
CID 113481126
N-ethyl-1-(7-methyloctyl)piperidin-4-amine
CID 114004129
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
N-ethyl-1-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115512946
4-fluoro-1-octylpiperidine
CID 130358850
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
CID 11641883
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
1-butyl-N-(2,2-dimethylpropyl)piperidin-4-amine
CID 61325567

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-N-ethylpiperidin-4-amine?
The IUPAC name of 1-dodecyl-N-ethylpiperidin-4-amine (CID 63400728) is 1-dodecyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-dodecyl-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-dodecyl-N-ethylpiperidin-4-amine is CCCCCCCCCCCCN1CCC(NCC)CC1.
What is the InChIKey of 1-dodecyl-N-ethylpiperidin-4-amine?
The InChIKey is WJBBZQWHTKWZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-3-5-6-7-8-9-10-11-12-13-16-21-17-14-19(15-18-21)20-4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of 1-dodecyl-N-ethylpiperidin-4-amine?
1-dodecyl-N-ethylpiperidin-4-amine has a molecular weight of 296.54 g/mol, XLogP of 4.98, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 63400728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).