4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol

C13H28N2O — CID 64898364

IUPAC4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCCCC1C
InChIInChI=1S/C13H28N2O/c1-3-8-14-13(7-10-16)11-15-9-5-4-6-12(15)2/h12-14,16H,3-11H2,1-2H3
InChIKeyDQSVMAIWJUHANW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds7

About 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol

4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 64898364) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
PubChem CID64898364
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCCCC1C
InChIInChI=1S/C13H28N2O/c1-3-8-14-13(7-10-16)11-15-9-5-4-6-12(15)2/h12-14,16H,3-11H2,1-2H3
InChIKeyDQSVMAIWJUHANW-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899261
3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64898588
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
N-[2-(2-methylpiperidin-1-yl)ethyl]pentan-3-amine
CID 62575153
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899032
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79938912

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol (CID 64898364) is 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CN1CCCCC1C.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is DQSVMAIWJUHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-8-14-13(7-10-16)11-15-9-5-4-6-12(15)2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol?
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).