(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol

C16H23ClN2O — CID 63371203

IUPAC(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(20)14-4-5-16(15(17)10-14)19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,12-13,20H,2-3,6-9,11H2,1H3/t12-/m1/s1
InChIKeyABYGSGWLMNJMCE-GFCCVEGCSA-N
MW294.83 g/mol
LogP2.93
Rot. Bonds4

About (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol

(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol (PubChem CID 63371203) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
PubChem CID63371203
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(20)14-4-5-16(15(17)10-14)19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,12-13,20H,2-3,6-9,11H2,1H3/t12-/m1/s1
InChIKeyABYGSGWLMNJMCE-GFCCVEGCSA-N
XLogP2.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
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

(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
(1R)-1-[3-chloro-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanol
CID 63371719
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
(1R)-1-[3-chloro-4-(3-ethylpiperidin-1-yl)phenyl]ethanol
CID 63370938
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
CID 102736611
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol (CID 63371203) is (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol is C[C@@H](O)c1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol?
The InChIKey is ABYGSGWLMNJMCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(20)14-4-5-16(15(17)10-14)19-8-6-18(7-9-19)11-13-2-3-13/h4-5,10,12-13,20H,2-3,6-9,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol?
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol has a molecular weight of 294.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol is sourced from PubChem (CID 63371203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).