2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol

C17H27ClN2O — CID 62271457

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2O/c1-3-8-17(2,14-21)13-19-9-11-20(12-10-19)16-7-5-4-6-15(16)18/h4-7,21H,3,8-14H2,1-2H3
InChIKeyTVIVQYCJBZNMFT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.26
Rot. Bonds6

About 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol (PubChem CID 62271457) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol
PubChem CID62271457
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2O/c1-3-8-17(2,14-21)13-19-9-11-20(12-10-19)16-7-5-4-6-15(16)18/h4-7,21H,3,8-14H2,1-2H3
InChIKeyTVIVQYCJBZNMFT-UHFFFAOYSA-N
XLogP3.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethylbutan-1-ol
CID 62271269
(3S)-4-[4-(2-chlorophenyl)piperazin-1-yl]-3-hydroxy-3-methylbutan-2-one
CID 124736091
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pentan-1-ol
CID 62777293
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-amine
CID 62262890
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64790760
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
CID 81413196
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
CID 62261924
4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
CID 62361052

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol (CID 62271457) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol?
The InChIKey is TVIVQYCJBZNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-8-17(2,14-21)13-19-9-11-20(12-10-19)16-7-5-4-6-15(16)18/h4-7,21H,3,8-14H2,1-2H3.
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylpentan-1-ol is sourced from PubChem (CID 62271457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).