1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol

C15H28N4O — CID 60898299

IUPAC1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCC1CCCCN1CCCNCC(O)Cn1cccn1
InChIInChI=1S/C15H28N4O/c1-14-6-2-3-9-18(14)10-4-7-16-12-15(20)13-19-11-5-8-17-19/h5,8,11,14-16,20H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyOSPMKTAIFHIOCS-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.10
Rot. Bonds8

About 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol

1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60898299) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60898299
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCC1CCCCN1CCCNCC(O)Cn1cccn1
InChIInChI=1S/C15H28N4O/c1-14-6-2-3-9-18(14)10-4-7-16-12-15(20)13-19-11-5-8-17-19/h5,8,11,14-16,20H,2-4,6-7,9-10,12-13H2,1H3
InChIKeyOSPMKTAIFHIOCS-UHFFFAOYSA-N
XLogP1.10
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 81094325
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43312067
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
CID 113394722
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol (CID 60898299) is 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol is CC1CCCCN1CCCNCC(O)Cn1cccn1.
What is the InChIKey of 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is OSPMKTAIFHIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14-6-2-3-9-18(14)10-4-7-16-12-15(20)13-19-11-5-8-17-19/h5,8,11,14-16,20H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).