1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol

C16H34N2O — CID 83994299

IUPAC1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(C)C)CN(C(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-16(19)8-14-7-15(17-9-12(2)3)11-18(10-14)13(4)5/h12-17,19H,6-11H2,1-5H3
InChIKeyOOEDXNGGTULFPF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds7

About 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol

1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol (PubChem CID 83994299) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
PubChem CID83994299
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(C)C)CN(C(C)C)C1
InChIInChI=1S/C16H34N2O/c1-6-16(19)8-14-7-15(17-9-12(2)3)11-18(10-14)13(4)5/h12-17,19H,6-11H2,1-5H3
InChIKeyOOEDXNGGTULFPF-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
1-cyclopropyl-2-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83994301
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
1-[5-(cyclohexylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol
CID 83999141
5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
2-[3-(2,2-difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]acetonitrile
CID 83993358
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol (CID 83994299) is 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(C)C)CN(C(C)C)C1.
What is the InChIKey of 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
The InChIKey is OOEDXNGGTULFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-16(19)8-14-7-15(17-9-12(2)3)11-18(10-14)13(4)5/h12-17,19H,6-11H2,1-5H3.
What are the key properties of 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol?
1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83994299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).