N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine

C17H20ClN3 — CID 43758553

IUPACN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20ClN3/c1-13-15(18)5-4-6-16(13)20-14-8-11-21(12-9-14)17-7-2-3-10-19-17/h2-7,10,14,20H,8-9,11-12H2,1H3
InChIKeyVWOZEGMXPMMZHG-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.12
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine

N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 43758553) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
PubChem CID43758553
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
SMILESCc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H20ClN3/c1-13-15(18)5-4-6-16(13)20-14-8-11-21(12-9-14)17-7-2-3-10-19-17/h2-7,10,14,20H,8-9,11-12H2,1H3
InChIKeyVWOZEGMXPMMZHG-UHFFFAOYSA-N
XLogP4.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839
2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43782400
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43764057
N-(3-chloro-2-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875544
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
CID 3902655
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 134499996
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine (CID 43758553) is N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine is Cc1c(Cl)cccc1NC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is VWOZEGMXPMMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-13-15(18)5-4-6-16(13)20-14-8-11-21(12-9-14)17-7-2-3-10-19-17/h2-7,10,14,20H,8-9,11-12H2,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine?
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43758553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).