[4-(3-chloroanilino)piperidin-4-yl]methanol

C12H17ClN2O — CID 61242648

IUPAC[4-(3-chloroanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyDFZJAIDXDLAVMP-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds3

About [4-(3-chloroanilino)piperidin-4-yl]methanol

[4-(3-chloroanilino)piperidin-4-yl]methanol (PubChem CID 61242648) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [4-(3-chloroanilino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloroanilino)piperidin-4-yl]methanol
PubChem CID61242648
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[4-(3-chloroanilino)piperidin-4-yl]methanol
SMILESOCC1(Nc2cccc(Cl)c2)CCNCC1
InChIInChI=1S/C12H17ClN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2
InChIKeyDFZJAIDXDLAVMP-UHFFFAOYSA-N
XLogP1.87
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
[1-(3-chloroanilino)-4-propylcyclohexyl]methanol
CID 63428476
[4-(4-bromoanilino)piperidin-4-yl]methanol
CID 61243008
3-[[1-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 102817459
4-(aminomethyl)-N-phenylpiperidin-4-amine
CID 3019514
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
CID 169490415
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)piperidin-4-yl]methanol?
The IUPAC name of [4-(3-chloroanilino)piperidin-4-yl]methanol (CID 61242648) is [4-(3-chloroanilino)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-chloroanilino)piperidin-4-yl]methanol?
The canonical SMILES for [4-(3-chloroanilino)piperidin-4-yl]methanol is OCC1(Nc2cccc(Cl)c2)CCNCC1.
What is the InChIKey of [4-(3-chloroanilino)piperidin-4-yl]methanol?
The InChIKey is DFZJAIDXDLAVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-2-1-3-11(8-10)15-12(9-16)4-6-14-7-5-12/h1-3,8,14-16H,4-7,9H2.
What are the key properties of [4-(3-chloroanilino)piperidin-4-yl]methanol?
[4-(3-chloroanilino)piperidin-4-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)piperidin-4-yl]methanol is sourced from PubChem (CID 61242648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).