5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol

C16H26N2O — CID 62227844

IUPAC5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
SMILESCN1CCN(CCCCCO)C(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-17-11-12-18(10-6-3-7-13-19)16(14-17)15-8-4-2-5-9-15/h2,4-5,8-9,16,19H,3,6-7,10-14H2,1H3
InChIKeyKOCFYLGOVPPDTB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.14
Rot. Bonds6

About 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol

5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol (PubChem CID 62227844) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
PubChem CID62227844
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
SMILESCN1CCN(CCCCCO)C(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-17-11-12-18(10-6-3-7-13-19)16(14-17)15-8-4-2-5-9-15/h2,4-5,8-9,16,19H,3,6-7,10-14H2,1H3
InChIKeyKOCFYLGOVPPDTB-UHFFFAOYSA-N
XLogP2.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
1-methoxy-3-(4-methyl-2-phenylpiperazin-1-yl)propan-2-one
CID 107507077
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 33403212
N',4-dimethyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111211763

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol (CID 62227844) is 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol is CN1CCN(CCCCCO)C(c2ccccc2)C1.
What is the InChIKey of 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol?
The InChIKey is KOCFYLGOVPPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17-11-12-18(10-6-3-7-13-19)16(14-17)15-8-4-2-5-9-15/h2,4-5,8-9,16,19H,3,6-7,10-14H2,1H3.
What are the key properties of 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol?
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 62227844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).