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

C18H30N2O — CID 83993606

IUPAC1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCc2ccccc2)CN(C(C)C)C1
InChIInChI=1S/C18H30N2O/c1-4-18(21)16-10-17(13-20(12-16)14(2)3)19-11-15-8-6-5-7-9-15/h5-9,14,16-19,21H,4,10-13H2,1-3H3
InChIKeyCRGBLLOODIEJDH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.65
Rot. Bonds6

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

1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol (PubChem CID 83993606) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
PubChem CID83993606
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCc2ccccc2)CN(C(C)C)C1
InChIInChI=1S/C18H30N2O/c1-4-18(21)16-10-17(13-20(12-16)14(2)3)19-11-15-8-6-5-7-9-15/h5-9,14,16-19,21H,4,10-13H2,1-3H3
InChIKeyCRGBLLOODIEJDH-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
1-[5-(benzylamino)-1-methylpiperidin-3-yl]ethanol
CID 83993461
N-benzyl-1-(1-cyclobutylethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993954
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 83993705
3-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]propanoic acid
CID 83993818
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
CID 83993929
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
2-[5-(benzylamino)-1-methylpiperidin-3-yl]-1-cyclopropylethanol
CID 83993466
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol (CID 83993606) is 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCc2ccccc2)CN(C(C)C)C1.
What is the InChIKey of 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol?
The InChIKey is CRGBLLOODIEJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-18(21)16-10-17(13-20(12-16)14(2)3)19-11-15-8-6-5-7-9-15/h5-9,14,16-19,21H,4,10-13H2,1-3H3.
What are the key properties of 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol?
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83993606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).