5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol

C13H29N3O — CID 62227302

IUPAC5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
SMILESCC(CN)CN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H29N3O/c1-13(11-14)12-16-8-6-15(7-9-16)5-3-2-4-10-17/h13,17H,2-12,14H2,1H3
InChIKeyHXPNJCFIFXSAEM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.36
Rot. Bonds8

About 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol

5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol (PubChem CID 62227302) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
PubChem CID62227302
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
SMILESCC(CN)CN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H29N3O/c1-13(11-14)12-16-8-6-15(7-9-16)5-3-2-4-10-17/h13,17H,2-12,14H2,1H3
InChIKeyHXPNJCFIFXSAEM-UHFFFAOYSA-N
XLogP0.36
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729440
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
(2R)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 97311891
ethane;4-[4-(5-methylheptyl)piperazin-1-yl]butan-1-ol
CID 156729439
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol (CID 62227302) is 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol is CC(CN)CN1CCN(CCCCCO)CC1.
What is the InChIKey of 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol?
The InChIKey is HXPNJCFIFXSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(11-14)12-16-8-6-15(7-9-16)5-3-2-4-10-17/h13,17H,2-12,14H2,1H3.
What are the key properties of 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol?
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol is sourced from PubChem (CID 62227302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).