1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol

C14H21ClN2O — CID 168640461

IUPAC1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H21ClN2O/c15-8-14(18)10-17-13-5-3-11(4-6-13)12-2-1-7-16-9-12/h3-6,12,14,16-18H,1-2,7-10H2
InChIKeyGADTZXCDKFWZTQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.17
Rot. Bonds5

About 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol

1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol (PubChem CID 168640461) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol
PubChem CID168640461
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(C2CCCNC2)cc1
InChIInChI=1S/C14H21ClN2O/c15-8-14(18)10-17-13-5-3-11(4-6-13)12-2-1-7-16-9-12/h3-6,12,14,16-18H,1-2,7-10H2
InChIKeyGADTZXCDKFWZTQ-UHFFFAOYSA-N
XLogP2.17
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol (CID 168640461) is 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol is OC(CCl)CNc1ccc(C2CCCNC2)cc1.
What is the InChIKey of 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol?
The InChIKey is GADTZXCDKFWZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-8-14(18)10-17-13-5-3-11(4-6-13)12-2-1-7-16-9-12/h3-6,12,14,16-18H,1-2,7-10H2.
What are the key properties of 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol?
1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol has a molecular weight of 268.79 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-piperidin-3-ylanilino)propan-2-ol is sourced from PubChem (CID 168640461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).