1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

C23H35FN2O — CID 42567645

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESFc1ccccc1CN(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C23H35FN2O/c24-23-10-4-1-6-20(23)17-25(18-22-9-5-15-27-22)16-19-11-13-26(14-12-19)21-7-2-3-8-21/h1,4,6,10,19,21-22H,2-3,5,7-9,11-18H2/t22-/m1/s1
InChIKeyMTGQEPSZWKLXMM-JOCHJYFZSA-N
MW374.54 g/mol
LogP4.46
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (PubChem CID 42567645) has the molecular formula C23H35FN2O and a molecular weight of 374.54 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
PubChem CID42567645
Molecular FormulaC23H35FN2O
Molecular Weight374.54 g/mol
Exact Mass374.27
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
SMILESFc1ccccc1CN(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1
InChIInChI=1S/C23H35FN2O/c24-23-10-4-1-6-20(23)17-25(18-22-9-5-15-27-22)16-19-11-13-26(14-12-19)21-7-2-3-8-21/h1,4,6,10,19,21-22H,2-3,5,7-9,11-18H2/t22-/m1/s1
InChIKeyMTGQEPSZWKLXMM-JOCHJYFZSA-N
XLogP4.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine 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-(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
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
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-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25454389
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 97286454
2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 97273079
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 45176610
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]methanamine
CID 56722271
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine (CID 42567645) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is Fc1ccccc1CN(CC1CCN(C2CCCC2)CC1)C[C@H]1CCCO1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
The InChIKey is MTGQEPSZWKLXMM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H35FN2O/c24-23-10-4-1-6-20(23)17-25(18-22-9-5-15-27-22)16-19-11-13-26(14-12-19)21-7-2-3-8-21/h1,4,6,10,19,21-22H,2-3,5,7-9,11-18H2/t22-/m1/s1.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine has a molecular weight of 374.54 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine is sourced from PubChem (CID 42567645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).