1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol

C15H31N3O — CID 83996881

IUPAC1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CC2)CN(CCN)C1
InChIInChI=1S/C15H31N3O/c1-2-15(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)6-5-16/h12-15,17,19H,2-11,16H2,1H3
InChIKeyVJDXQLHECNNTBU-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.80
Rot. Bonds8

About 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol

1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83996881) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83996881
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CC2)CN(CCN)C1
InChIInChI=1S/C15H31N3O/c1-2-15(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)6-5-16/h12-15,17,19H,2-11,16H2,1H3
InChIKeyVJDXQLHECNNTBU-UHFFFAOYSA-N
XLogP0.80
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol
CID 83989506
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]ethanol
CID 83996841
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol (CID 83996881) is 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC2CC2)CN(CCN)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is VJDXQLHECNNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-15(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)6-5-16/h12-15,17,19H,2-11,16H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol?
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83996881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).