(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride

C11H17Cl2N3 — CID 171314290

IUPAC(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)nc1)C1CCNCC1
InChIInChI=1S/C11H16ClN3.ClH/c12-10-2-1-9(7-15-10)11(13)8-3-5-14-6-4-8;/h1-2,7-8,11,14H,3-6,13H2;1H/t11-;/m1./s1
InChIKeyZIXWLFDEGGJVHH-RFVHGSKJSA-N
MW262.18 g/mol
LogP2.16
Rot. Bonds2

About (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314290) has the molecular formula C11H17Cl2N3 and a molecular weight of 262.18 g/mol. Its IUPAC name is (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314290
Molecular FormulaC11H17Cl2N3
Molecular Weight262.18 g/mol
Exact Mass261.08
IUPAC Name(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)nc1)C1CCNCC1
InChIInChI=1S/C11H16ClN3.ClH/c12-10-2-1-9(7-15-10)11(13)8-3-5-14-6-4-8;/h1-2,7-8,11,14H,3-6,13H2;1H/t11-;/m1./s1
InChIKeyZIXWLFDEGGJVHH-RFVHGSKJSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)-cyclopropylmethanamine
CID 55295463
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
1-[(S)-(6-chloro-3-pyridinyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171276521
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
(R)-(6-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 131134352

Frequently Asked Questions

What is the IUPAC name of (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314290) is (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)nc1)C1CCNCC1.
What is the InChIKey of (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is ZIXWLFDEGGJVHH-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H16ClN3.ClH/c12-10-2-1-9(7-15-10)11(13)8-3-5-14-6-4-8;/h1-2,7-8,11,14H,3-6,13H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).