N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine

C20H35F3N2O — CID 45190859

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCN(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C20H35F3N2O/c21-20(22,23)10-4-11-24(16-19-7-3-14-26-19)15-17-8-12-25(13-9-17)18-5-1-2-6-18/h17-19H,1-16H2
InChIKeyBEQNGHIJGIHRMN-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.46
Rot. Bonds8

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine

N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine (PubChem CID 45190859) has the molecular formula C20H35F3N2O and a molecular weight of 376.51 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine
PubChem CID45190859
Molecular FormulaC20H35F3N2O
Molecular Weight376.51 g/mol
Exact Mass376.27
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCN(CC1CCN(C2CCCC2)CC1)CC1CCCO1
InChIInChI=1S/C20H35F3N2O/c21-20(22,23)10-4-11-24(16-19-7-3-14-26-19)15-17-8-12-25(13-9-17)18-5-1-2-6-18/h17-19H,1-16H2
InChIKeyBEQNGHIJGIHRMN-UHFFFAOYSA-N
XLogP4.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine 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-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 42567645
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
3-[[(1-cyclopentylpiperidin-4-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 45212640
2-chloro-4-[[(1-cyclopentylpiperidin-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenol
CID 95215651
1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]methanamine
CID 42212073
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 45205988
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
CID 45195710

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine (CID 45190859) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine is FC(F)(F)CCCN(CC1CCN(C2CCCC2)CC1)CC1CCCO1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine?
The InChIKey is BEQNGHIJGIHRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F3N2O/c21-20(22,23)10-4-11-24(16-19-7-3-14-26-19)15-17-8-12-25(13-9-17)18-5-1-2-6-18/h17-19H,1-16H2.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine has a molecular weight of 376.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-4,4,4-trifluoro-N-(oxolan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 45190859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).