4-chloro-N-(piperidin-3-ylmethyl)aniline

C12H17ClN2 — CID 66716283

IUPAC4-chloro-N-(piperidin-3-ylmethyl)aniline
SMILESClc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2
InChIKeyACBSRUFZFPGOQI-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-N-(piperidin-3-ylmethyl)aniline

4-chloro-N-(piperidin-3-ylmethyl)aniline (PubChem CID 66716283) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(piperidin-3-ylmethyl)aniline
PubChem CID66716283
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-N-(piperidin-3-ylmethyl)aniline
SMILESClc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2
InChIKeyACBSRUFZFPGOQI-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-N-(piperidin-3-ylmethyl)aniline (CID 66716283) is 4-chloro-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-N-(piperidin-3-ylmethyl)aniline is Clc1ccc(NCC2CCCNC2)cc1.
What is the InChIKey of 4-chloro-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is ACBSRUFZFPGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2.
What are the key properties of 4-chloro-N-(piperidin-3-ylmethyl)aniline?
4-chloro-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 224.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 66716283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).