1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol

C16H26N2O — CID 62044767

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
SMILESCCCC(O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-5-16(19)13-17-8-10-18(11-9-17)15-7-4-6-14(2)12-15/h4,6-7,12,16,19H,3,5,8-11,13H2,1-2H3
InChIKeyCKDJDRONLSWHAR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.28
Rot. Bonds5

About 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol

1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol (PubChem CID 62044767) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
PubChem CID62044767
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
SMILESCCCC(O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O/c1-3-5-16(19)13-17-8-10-18(11-9-17)15-7-4-6-14(2)12-15/h4,6-7,12,16,19H,3,5,8-11,13H2,1-2H3
InChIKeyCKDJDRONLSWHAR-UHFFFAOYSA-N
XLogP2.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
1-(3-methylphenyl)piperidine;propane
CID 143942273

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol (CID 62044767) is 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol is CCCC(O)CN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol?
The InChIKey is CKDJDRONLSWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-16(19)13-17-8-10-18(11-9-17)15-7-4-6-14(2)12-15/h4,6-7,12,16,19H,3,5,8-11,13H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol?
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol is sourced from PubChem (CID 62044767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).