[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C19H30N4O — CID 90336906

IUPAC[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(CN)(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H30N4O/c1-21-11-13-23(14-12-21)18(24)22-9-7-19(16-20,8-10-22)15-17-5-3-2-4-6-17/h2-6H,7-16,20H2,1H3
InChIKeyACTFNKWECMXWGA-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.64
Rot. Bonds3

About [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 90336906) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID90336906
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(CN)(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H30N4O/c1-21-11-13-23(14-12-21)18(24)22-9-7-19(16-20,8-10-22)15-17-5-3-2-4-6-17/h2-6H,7-16,20H2,1H3
InChIKeyACTFNKWECMXWGA-UHFFFAOYSA-N
XLogP1.64
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
(1-benzylcyclooctyl)methanamine
CID 80602159
(1-benzylcycloheptyl)methanamine
CID 65391702
2-[(4-benzyl-1-methylpiperidin-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 134435036
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
2-[3-(aminomethyl)cyclobutyl]-1-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 166301951
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 90336906) is [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(CN)(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ACTFNKWECMXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-11-13-23(14-12-21)18(24)22-9-7-19(16-20,8-10-22)15-17-5-3-2-4-6-17/h2-6H,7-16,20H2,1H3.
What are the key properties of [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 330.48 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-benzylpiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 90336906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).