(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride

C12H17Cl3N2 — CID 171314201

IUPAC(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H16Cl2N2.ClH/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyJIXPBTLHDQPPNW-UTONKHPSSA-N
MW295.64 g/mol
LogP3.41
Rot. Bonds2

About (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314201) has the molecular formula C12H17Cl3N2 and a molecular weight of 295.64 g/mol. Its IUPAC name is (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314201
Molecular FormulaC12H17Cl3N2
Molecular Weight295.64 g/mol
Exact Mass294.05
IUPAC Name(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C12H16Cl2N2.ClH/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyJIXPBTLHDQPPNW-UTONKHPSSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.64
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(R)-1H-indol-6-yl(piperidin-4-yl)methanamine;hydrochloride
CID 171314371
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314201) is (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is JIXPBTLHDQPPNW-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16Cl2N2.ClH/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 295.64 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).