2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride

C12H15Cl2NO — CID 44890760

IUPAC2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C12H14ClNO.ClH/c13-12-8-11(5-4-10(12)9-15)14-6-2-1-3-7-14;/h4-5,8-9H,1-3,6-7H2;1H
InChIKeyKLSWNQBKBGWZNL-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride

2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride (PubChem CID 44890760) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
PubChem CID44890760
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
SMILESCl.O=Cc1ccc(N2CCCCC2)cc1Cl
InChIInChI=1S/C12H14ClNO.ClH/c13-12-8-11(5-4-10(12)9-15)14-6-2-1-3-7-14;/h4-5,8-9H,1-3,6-7H2;1H
InChIKeyKLSWNQBKBGWZNL-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Bis(2-chloroethyl)amino)benzaldehyde
CID 71018
4-(Piperidin-1-yl)benzaldehyde
CID 291354
Benzaldehyde, 2-chloro-4-(dimethylamino)-
CID 74021
3-Chloro-4-(pyrrolidin-1-yl)benzaldehyde
CID 7148618
p-((2-Chloroethyl)ethylamino)benzaldehyde
CID 75842
4-((2-Chloroethyl)methylamino)benzaldehyde
CID 66745
(2-Chloro-4-piperidin-1-yl-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
CID 10595255
3-Chloro-4-(dipropylamino)benzaldehyde
CID 81145685
Cambridge id 5788382
CID 775599
3-Chloro-4-morpholinobenzaldehyde
CID 7148604
1-{4-[4-(2-Chlorobenzyl)-1-piperazinyl]phenyl}ethanone
CID 5332949
3-Chloro-4-piperidin-1-ylbenzaldehyde
CID 7148639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride?
The IUPAC name of 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride (CID 44890760) is 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride.
What is the SMILES notation for 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride?
The canonical SMILES for 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride is Cl.O=Cc1ccc(N2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride?
The InChIKey is KLSWNQBKBGWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO.ClH/c13-12-8-11(5-4-10(12)9-15)14-6-2-1-3-7-14;/h4-5,8-9H,1-3,6-7H2;1H.
What are the key properties of 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride?
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride has a molecular weight of 260.16 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride is sourced from PubChem (CID 44890760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).