2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine

C18H22ClN3 — CID 22922520

IUPAC2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22ClN3/c19-15-6-7-17(20)18(12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2
InChIKeyAOQISHZFOXZXJD-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.00
Rot. Bonds4

About 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine

2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine (PubChem CID 22922520) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
PubChem CID22922520
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H22ClN3/c19-15-6-7-17(20)18(12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2
InChIKeyAOQISHZFOXZXJD-UHFFFAOYSA-N
XLogP4.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
1-N-(1-benzylpiperidin-4-yl)-4-fluorobenzene-1,2-diamine
CID 21193065
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-(1-benzylpiperidin-4-yl)-3-(5-chloro-2-methylphenyl)thiourea
CID 17264882
6-chloro-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]amino]chromen-2-one
CID 10003619
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine (CID 22922520) is 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine is Nc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine?
The InChIKey is AOQISHZFOXZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c19-15-6-7-17(20)18(12-15)21-16-8-10-22(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,21H,8-11,13,20H2.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine?
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine has a molecular weight of 315.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 22922520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).