3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol

C14H30N2O — CID 83990804

IUPAC3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
SMILESCCCNC1CC(CC(O)C(C)C)CN(C)C1
InChIInChI=1S/C14H30N2O/c1-5-6-15-13-7-12(9-16(4)10-13)8-14(17)11(2)3/h11-15,17H,5-10H2,1-4H3
InChIKeyYCBUTTRAXIVLQI-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds6

About 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol

3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83990804) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
PubChem CID83990804
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
SMILESCCCNC1CC(CC(O)C(C)C)CN(C)C1
InChIInChI=1S/C14H30N2O/c1-5-6-15-13-7-12(9-16(4)10-13)8-14(17)11(2)3/h11-15,17H,5-10H2,1-4H3
InChIKeyYCBUTTRAXIVLQI-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
1-(5-amino-1-methylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83988971
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
CID 83994848
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol (CID 83990804) is 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol is CCCNC1CC(CC(O)C(C)C)CN(C)C1.
What is the InChIKey of 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is YCBUTTRAXIVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-15-13-7-12(9-16(4)10-13)8-14(17)11(2)3/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol?
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83990804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).