1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol

C16H23ClN2O — CID 62630518

IUPAC1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(C2CC2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13,16,20H,5-12H2
InChIKeyMQCNTXUEEKWCBN-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol

1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol (PubChem CID 62630518) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
PubChem CID62630518
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(C2CC2)CC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13,16,20H,5-12H2
InChIKeyMQCNTXUEEKWCBN-UHFFFAOYSA-N
XLogP2.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
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CID 62644212
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
(1R)-1-(2-chlorophenyl)-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]ethanol
CID 95602478
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
4-amino-5-[[1-[3-(2-chlorophenyl)-3-hydroxypropyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 175287799
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol (CID 62630518) is 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol is OC(CCN1CCN(C2CC2)CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol?
The InChIKey is MQCNTXUEEKWCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-15-4-2-1-3-14(15)16(20)7-8-18-9-11-19(12-10-18)13-5-6-13/h1-4,13,16,20H,5-12H2.
What are the key properties of 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol?
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol has a molecular weight of 294.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 62630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).