N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine

C14H21ClN2O — CID 134994709

IUPACN-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
SMILESC[C@@H](NO)C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H21ClN2O/c1-11(16-18)14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyIWPJKLACXOAESJ-YNODCEANSA-N
MW268.79 g/mol
LogP3.23
Rot. Bonds4

About N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine

N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine (PubChem CID 134994709) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
PubChem CID134994709
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine
SMILESC[C@@H](NO)C(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C14H21ClN2O/c1-11(16-18)14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3/t11-,14?/m1/s1
InChIKeyIWPJKLACXOAESJ-YNODCEANSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
CID 129404174
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
CID 150848803
3-(4-chlorophenyl)-2-pyrrolidin-1-ylbutanenitrile
CID 82087024
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine (CID 134994709) is N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine is C[C@@H](NO)C(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine?
The InChIKey is IWPJKLACXOAESJ-YNODCEANSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(16-18)14(17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8,11,14,16,18H,2-4,9-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine?
N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine has a molecular weight of 268.79 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)-1-piperidin-1-ylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 134994709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).