1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol

C13H19ClN2O — CID 106835281

IUPAC1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-9(17)10-4-6-16(7-5-10)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3
InChIKeyJDUYJSNIZVVRBY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol

1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol (PubChem CID 106835281) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
PubChem CID106835281
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(N)cc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-9(17)10-4-6-16(7-5-10)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3
InChIKeyJDUYJSNIZVVRBY-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[1-[2-chloro-4-(propylaminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106836689
3-chloro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 112625535
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 106835977
3-chloro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 112626097
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol (CID 106835281) is 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccc(N)cc2Cl)CC1.
What is the InChIKey of 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol?
The InChIKey is JDUYJSNIZVVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(17)10-4-6-16(7-5-10)13-3-2-11(15)8-12(13)14/h2-3,8-10,17H,4-7,15H2,1H3.
What are the key properties of 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol?
1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol has a molecular weight of 254.76 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).