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

C17H35N3O — CID 83998265

IUPAC1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCC2)CN(CCN)C1
InChIInChI=1S/C17H35N3O/c1-2-17(21)10-15-9-16(13-20(12-15)8-7-18)19-11-14-5-3-4-6-14/h14-17,19,21H,2-13,18H2,1H3
InChIKeyROMDXFWPNVLUMC-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.58
Rot. Bonds8

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

1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83998265) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83998265
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCC2)CN(CCN)C1
InChIInChI=1S/C17H35N3O/c1-2-17(21)10-15-9-16(13-20(12-15)8-7-18)19-11-14-5-3-4-6-14/h14-17,19,21H,2-13,18H2,1H3
InChIKeyROMDXFWPNVLUMC-UHFFFAOYSA-N
XLogP1.58
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol with MolForge

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Related Compounds

1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
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-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol
CID 83989506
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
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol (CID 83998265) is 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC2CCCC2)CN(CCN)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is ROMDXFWPNVLUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-2-17(21)10-15-9-16(13-20(12-15)8-7-18)19-11-14-5-3-4-6-14/h14-17,19,21H,2-13,18H2,1H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol?
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 297.49 g/mol, XLogP of 1.58, 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-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83998265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).