N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine

C20H27N3 — CID 171910751

IUPACN-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H27N3/c1-22(17-18-7-3-2-4-8-18)20-11-15-23(16-12-20)14-10-19-9-5-6-13-21-19/h2-9,13,20H,10-12,14-17H2,1H3
InChIKeyKBKLNYXFTPAKKD-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.22
Rot. Bonds6

About N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine

N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine (PubChem CID 171910751) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
PubChem CID171910751
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H27N3/c1-22(17-18-7-3-2-4-8-18)20-11-15-23(16-12-20)14-10-19-9-5-6-13-21-19/h2-9,13,20H,10-12,14-17H2,1H3
InChIKeyKBKLNYXFTPAKKD-UHFFFAOYSA-N
XLogP3.22
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohex-2-en-1-yl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 71976779
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368
N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 24732380
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
CID 146123829
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
4-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]acetyl]piperazin-2-one
CID 154749644
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine (CID 171910751) is N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine is CN(Cc1ccccc1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
The InChIKey is KBKLNYXFTPAKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-22(17-18-7-3-2-4-8-18)20-11-15-23(16-12-20)14-10-19-9-5-6-13-21-19/h2-9,13,20H,10-12,14-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine?
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 171910751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).