1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C16H20ClN3S — CID 131909205

IUPAC1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1csc(CNC2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H20ClN3S/c1-12-11-21-16(19-12)10-18-13-6-8-20(9-7-13)15-5-3-2-4-14(15)17/h2-5,11,13,18H,6-10H2,1H3
InChIKeyOSJKBRMIINGYQD-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 131909205) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID131909205
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1csc(CNC2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H20ClN3S/c1-12-11-21-16(19-12)10-18-13-6-8-20(9-7-13)15-5-3-2-4-14(15)17/h2-5,11,13,18H,6-10H2,1H3
InChIKeyOSJKBRMIINGYQD-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 131909205) is 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is Cc1csc(CNC2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is OSJKBRMIINGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-12-11-21-16(19-12)10-18-13-6-8-20(9-7-13)15-5-3-2-4-14(15)17/h2-5,11,13,18H,6-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 321.88 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 131909205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).