1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol

C14H29F2N3O — CID 83993425

IUPAC1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(NCC(F)F)CN(CCN)C1
InChIInChI=1S/C14H29F2N3O/c1-10(2)13(20)6-11-5-12(18-7-14(15)16)9-19(8-11)4-3-17/h10-14,18,20H,3-9,17H2,1-2H3
InChIKeyNAJNOVNMTLLFTN-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.90
Rot. Bonds8

About 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol

1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol (PubChem CID 83993425) has the molecular formula C14H29F2N3O and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
PubChem CID83993425
Molecular FormulaC14H29F2N3O
Molecular Weight293.40 g/mol
Exact Mass293.23
IUPAC Name1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CC1CC(NCC(F)F)CN(CCN)C1
InChIInChI=1S/C14H29F2N3O/c1-10(2)13(20)6-11-5-12(18-7-14(15)16)9-19(8-11)4-3-17/h10-14,18,20H,3-9,17H2,1-2H3
InChIKeyNAJNOVNMTLLFTN-UHFFFAOYSA-N
XLogP0.90
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
2-[3-(2,2-difluoroethylamino)-5-(2-hydroxybutyl)piperidin-1-yl]acetonitrile
CID 83993358
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
1-[1-butan-2-yl-5-(2,2-difluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83993131
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
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-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol (CID 83993425) is 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol is CC(C)C(O)CC1CC(NCC(F)F)CN(CCN)C1.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
The InChIKey is NAJNOVNMTLLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2N3O/c1-10(2)13(20)6-11-5-12(18-7-14(15)16)9-19(8-11)4-3-17/h10-14,18,20H,3-9,17H2,1-2H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol?
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol has a molecular weight of 293.40 g/mol, XLogP of 0.90, 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-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 83993425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).