(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol

C17H19Cl2N3O — CID 97452088

IUPAC(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12(23)16-3-2-4-17(20-16)22-9-7-21(8-10-22)13-5-6-14(18)15(19)11-13/h2-6,11-12,23H,7-10H2,1H3/t12-/m0/s1
InChIKeyVCQQCVYBUDTDLP-LBPRGKRZSA-N
MW352.27 g/mol
LogP3.77
Rot. Bonds3

About (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol

(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol (PubChem CID 97452088) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
PubChem CID97452088
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1cccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12(23)16-3-2-4-17(20-16)22-9-7-21(8-10-22)13-5-6-14(18)15(19)11-13/h2-6,11-12,23H,7-10H2,1H3/t12-/m0/s1
InChIKeyVCQQCVYBUDTDLP-LBPRGKRZSA-N
XLogP3.77
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
CID 97280710
3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
CID 146140358
4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 95563400
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
CID 138111695
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 138052956
1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22198709
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
6-[4-[3-chloro-4-(4-propan-2-ylsulfonylpiperazin-1-yl)sulfonylphenyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 167928523
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol (CID 97452088) is (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol is C[C@H](O)c1cccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
The InChIKey is VCQQCVYBUDTDLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-12(23)16-3-2-4-17(20-16)22-9-7-21(8-10-22)13-5-6-14(18)15(19)11-13/h2-6,11-12,23H,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol?
(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol has a molecular weight of 352.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 97452088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).