1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol

C15H22ClNO2 — CID 106836509

IUPAC1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2Cl)CC1
InChIInChI=1S/C15H22ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-12,18-19H,5-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyUTPXULYRNXWMJK-DTIOYNMSSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds3

About 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol

1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol (PubChem CID 106836509) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
PubChem CID106836509
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([C@H](C)O)cc2Cl)CC1
InChIInChI=1S/C15H22ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-12,18-19H,5-8H2,1-2H3/t10?,11-/m0/s1
InChIKeyUTPXULYRNXWMJK-DTIOYNMSSA-N
XLogP2.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', '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]pyrrolidin-3-yl]ethanol
CID 103942850
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
CID 106835281
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
(1R)-1-[4-(4-tert-butylazepan-1-yl)-3-chlorophenyl]ethanol
CID 78992789
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836524
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol (CID 106836509) is 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccc([C@H](C)O)cc2Cl)CC1.
What is the InChIKey of 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
The InChIKey is UTPXULYRNXWMJK-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(11(2)19)9-14(15)16/h3-4,9-12,18-19H,5-8H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol?
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).