(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride

C12H17Cl2N3O2 — CID 171314399

IUPAC(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C12H16ClN3O2.ClH/c13-10-2-1-9(7-11(10)16(17)18)12(14)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6,14H2;1H/t12-;/m1./s1
InChIKeyFCTYRTMJANUULC-UTONKHPSSA-N
MW306.19 g/mol
LogP2.67
Rot. Bonds3

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

(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314399) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314399
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C12H16ClN3O2.ClH/c13-10-2-1-9(7-11(10)16(17)18)12(14)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6,14H2;1H/t12-;/m1./s1
InChIKeyFCTYRTMJANUULC-UTONKHPSSA-N
XLogP2.67
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
4-[(S)-amino(cyclopropyl)methyl]-2-nitrophenol;hydrochloride
CID 171219479
(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171206339
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
CID 171314060
(S)-cyclopropyl-(4-methyl-3-nitrophenyl)methanamine;hydrochloride
CID 171226525
(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride
CID 171206245
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
CID 171225891
(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 171225892
(S)-(4-bromo-3-nitrophenyl)-cyclopentylmethanamine
CID 171225820

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314399) is (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1CCNCC1.
What is the InChIKey of (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is FCTYRTMJANUULC-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16ClN3O2.ClH/c13-10-2-1-9(7-11(10)16(17)18)12(14)8-3-5-15-6-4-8;/h1-2,7-8,12,15H,3-6,14H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).