1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol

C15H23ClN2O — CID 168636923

IUPAC1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23ClN2O/c16-10-15(19)11-17-14-6-4-5-13(9-14)12-18-7-2-1-3-8-18/h4-6,9,15,17,19H,1-3,7-8,10-12H2
InChIKeyNLVIETKKGVLCKN-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.68
Rot. Bonds6

About 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol

1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol (PubChem CID 168636923) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
PubChem CID168636923
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23ClN2O/c16-10-15(19)11-17-14-6-4-5-13(9-14)12-18-7-2-1-3-8-18/h4-6,9,15,17,19H,1-3,7-8,10-12H2
InChIKeyNLVIETKKGVLCKN-UHFFFAOYSA-N
XLogP2.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
4-[[3-(piperidin-1-ylmethyl)anilino]methyl]benzoic acid
CID 122029517
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
N-[(5-chlorothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43435775
1-chloro-3-(3-chloro-4-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637936
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[3-(piperidin-1-ylmethyl)phenyl]urea
CID 125164064
1-anilino-3-chloropropan-2-ol
CID 3640254

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol (CID 168636923) is 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol is OC(CCl)CNc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol?
The InChIKey is NLVIETKKGVLCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c16-10-15(19)11-17-14-6-4-5-13(9-14)12-18-7-2-1-3-8-18/h4-6,9,15,17,19H,1-3,7-8,10-12H2.
What are the key properties of 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol?
1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol has a molecular weight of 282.81 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol is sourced from PubChem (CID 168636923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).