N,N-dibenzyl-1-piperidin-2-ylethanamine

C21H28N2 — CID 131021341

IUPACN,N-dibenzyl-1-piperidin-2-ylethanamine
SMILESCC(C1CCCCN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2/c1-18(21-14-8-9-15-22-21)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17H2,1H3
InChIKeyVVSSPHXAVWWKNS-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.22
Rot. Bonds6

About N,N-dibenzyl-1-piperidin-2-ylethanamine

N,N-dibenzyl-1-piperidin-2-ylethanamine (PubChem CID 131021341) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,N-dibenzyl-1-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-piperidin-2-ylethanamine
PubChem CID131021341
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC NameN,N-dibenzyl-1-piperidin-2-ylethanamine
SMILESCC(C1CCCCN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2/c1-18(21-14-8-9-15-22-21)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17H2,1H3
InChIKeyVVSSPHXAVWWKNS-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-1-piperidin-2-ylethanamine 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

methyl (2R)-3-phenyl-2-[(2R)-piperidin-2-yl]propanoate
CID 10490732
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
N-benzyl-3-piperidin-2-yl-N-propan-2-ylpropanamide
CID 62212408
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
benzyl N-(1-piperidin-2-ylethyl)carbamate
CID 84710780
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
CID 174915611

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-piperidin-2-ylethanamine?
The IUPAC name of N,N-dibenzyl-1-piperidin-2-ylethanamine (CID 131021341) is N,N-dibenzyl-1-piperidin-2-ylethanamine.
What is the SMILES notation for N,N-dibenzyl-1-piperidin-2-ylethanamine?
The canonical SMILES for N,N-dibenzyl-1-piperidin-2-ylethanamine is CC(C1CCCCN1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-piperidin-2-ylethanamine?
The InChIKey is VVSSPHXAVWWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-18(21-14-8-9-15-22-21)23(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-7,10-13,18,21-22H,8-9,14-17H2,1H3.
What are the key properties of N,N-dibenzyl-1-piperidin-2-ylethanamine?
N,N-dibenzyl-1-piperidin-2-ylethanamine has a molecular weight of 308.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-piperidin-2-ylethanamine is sourced from PubChem (CID 131021341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).