1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C15H30N2O — CID 111466677

IUPAC1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCC(C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-12-5-7-17(8-6-12)11-15(18)10-16-14-4-3-13(2)9-14/h12-16,18H,3-11H2,1-2H3
InChIKeyLGZBALHWLJNIOX-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.86
Rot. Bonds5

About 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 111466677) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID111466677
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCC(C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-12-5-7-17(8-6-12)11-15(18)10-16-14-4-3-13(2)9-14/h12-16,18H,3-11H2,1-2H3
InChIKeyLGZBALHWLJNIOX-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol with MolForge

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Related Compounds

(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124669128
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
(2R)-1-(4-methylpiperidin-1-yl)-3-[[(1R,2S)-2-methylsulfonylcyclohexyl]amino]propan-2-ol
CID 97334048
1-(4-methylpiperidin-1-yl)-3-[(2-methylsulfonylcyclohexyl)amino]propan-2-ol
CID 75471733
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 111466677) is 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CNC2CCC(C)C2)CC1.
What is the InChIKey of 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is LGZBALHWLJNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-5-7-17(8-6-12)11-15(18)10-16-14-4-3-13(2)9-14/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 111466677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).