2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine

C16H26N2 — CID 21091

IUPAC2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-17(2)12-13-18-10-8-16(9-11-18)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyNVZYWFPWKZIVMO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine

2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine (PubChem CID 21091) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine
PubChem CID21091
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-17(2)12-13-18-10-8-16(9-11-18)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyNVZYWFPWKZIVMO-UHFFFAOYSA-N
XLogP2.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyproheptadine
CID 2913
Cyclizine
CID 6726
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Fenpropidin
CID 91694
Budipine
CID 68778
Cyproheptadine Hydrochloride
CID 13770
Alverine
CID 3678
4-Benzylpiperidine
CID 31738
Fenpiprane
CID 197785
Cyclizine Hydrochloride
CID 6420019
Piperidine, 1-(2-phenylethyl)-
CID 9513
1,4-Dibenzylpiperazine
CID 200601

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine (CID 21091) is 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine?
The InChIKey is NVZYWFPWKZIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17(2)12-13-18-10-8-16(9-11-18)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine?
2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 21091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).