(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride

C12H19Cl3N2 — CID 24829096

IUPAC(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C12H17ClN2.2ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;;/h1-4,10,12,15H,5-8,14H2;2*1H
InChIKeyJPVIKMCYFLEZDR-UHFFFAOYSA-N
MW297.66 g/mol
LogP3.18
Rot. Bonds2

About (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride

(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride (PubChem CID 24829096) has the molecular formula C12H19Cl3N2 and a molecular weight of 297.66 g/mol. Its IUPAC name is (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
PubChem CID24829096
Molecular FormulaC12H19Cl3N2
Molecular Weight297.66 g/mol
Exact Mass296.06
IUPAC Name(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NC(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C12H17ClN2.2ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;;/h1-4,10,12,15H,5-8,14H2;2*1H
InChIKeyJPVIKMCYFLEZDR-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
CID 86704279
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride?
The IUPAC name of (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride (CID 24829096) is (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride is Cl.Cl.NC(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride?
The InChIKey is JPVIKMCYFLEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.2ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;;/h1-4,10,12,15H,5-8,14H2;2*1H.
What are the key properties of (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride?
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride has a molecular weight of 297.66 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 24829096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).