1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine

C21H27N5 — CID 166311227

IUPAC1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1NCc1cccc2c1nnn2C
InChIInChI=1S/C21H27N5/c1-16-14-26(15-17-7-4-3-5-8-17)12-11-19(16)22-13-18-9-6-10-20-21(18)23-24-25(20)2/h3-10,16,19,22H,11-15H2,1-2H3
InChIKeyASBXEBUGQXRCRY-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.97
Rot. Bonds5

About 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine

1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine (PubChem CID 166311227) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine
PubChem CID166311227
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine
SMILESCC1CN(Cc2ccccc2)CCC1NCc1cccc2c1nnn2C
InChIInChI=1S/C21H27N5/c1-16-14-26(15-17-7-4-3-5-8-17)12-11-19(16)22-13-18-9-6-10-20-21(18)23-24-25(20)2/h3-10,16,19,22H,11-15H2,1-2H3
InChIKeyASBXEBUGQXRCRY-UHFFFAOYSA-N
XLogP2.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
N-ethyl-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 54975188
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
CID 130891534
(3R,4R)-1-ethyl-3-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 97321645

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine (CID 166311227) is 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine is CC1CN(Cc2ccccc2)CCC1NCc1cccc2c1nnn2C.
What is the InChIKey of 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is ASBXEBUGQXRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-16-14-26(15-17-7-4-3-5-8-17)12-11-19(16)22-13-18-9-6-10-20-21(18)23-24-25(20)2/h3-10,16,19,22H,11-15H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine?
1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[(1-methylbenzotriazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 166311227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).