1-dodecyl-N-methylpiperidin-4-amine

C18H38N2 — CID 63400682

IUPAC1-dodecyl-N-methylpiperidin-4-amine
SMILESCCCCCCCCCCCCN1CCC(NC)CC1
InChIInChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-18(19-2)14-17-20/h18-19H,3-17H2,1-2H3
InChIKeyIPXWCHISSIIONO-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds12

About 1-dodecyl-N-methylpiperidin-4-amine

1-dodecyl-N-methylpiperidin-4-amine (PubChem CID 63400682) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-dodecyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-dodecyl-N-methylpiperidin-4-amine
PubChem CID63400682
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-dodecyl-N-methylpiperidin-4-amine
SMILESCCCCCCCCCCCCN1CCC(NC)CC1
InChIInChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-18(19-2)14-17-20/h18-19H,3-17H2,1-2H3
InChIKeyIPXWCHISSIIONO-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
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-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353
4-fluoro-1-octylpiperidine
CID 130358850
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
CID 11641883
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylaziridine
CID 544653
1-octylpiperidin-4-ol
CID 62022103
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-dodecyl-N-methylpiperidin-4-amine (CID 63400682) is 1-dodecyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-dodecyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-dodecyl-N-methylpiperidin-4-amine is CCCCCCCCCCCCN1CCC(NC)CC1.
What is the InChIKey of 1-dodecyl-N-methylpiperidin-4-amine?
The InChIKey is IPXWCHISSIIONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-3-4-5-6-7-8-9-10-11-12-15-20-16-13-18(19-2)14-17-20/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-dodecyl-N-methylpiperidin-4-amine?
1-dodecyl-N-methylpiperidin-4-amine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 63400682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).