1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine

C23H35FN2O — CID 45171120

IUPAC1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESFc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C23H35FN2O/c24-21-6-3-5-20(15-21)17-25(18-23-9-4-14-27-23)16-19-10-12-26(13-11-19)22-7-1-2-8-22/h3,5-6,15,19,22-23H,1-2,4,7-14,16-18H2
InChIKeyXETGJXRJNHAARW-UHFFFAOYSA-N
MW374.54 g/mol
LogP4.46
Rot. Bonds7

About 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine

1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45171120) has the molecular formula C23H35FN2O and a molecular weight of 374.54 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45171120
Molecular FormulaC23H35FN2O
Molecular Weight374.54 g/mol
Exact Mass374.27
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESFc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1
InChIInChI=1S/C23H35FN2O/c24-21-6-3-5-20(15-21)17-25(18-23-9-4-14-27-23)16-19-10-12-26(13-11-19)22-7-1-2-8-22/h3,5-6,15,19,22-23H,1-2,4,7-14,16-18H2
InChIKeyXETGJXRJNHAARW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 45171120) is 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine is Fc1cccc(CN(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is XETGJXRJNHAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O/c24-21-6-3-5-20(15-21)17-25(18-23-9-4-14-27-23)16-19-10-12-26(13-11-19)22-7-1-2-8-22/h3,5-6,15,19,22-23H,1-2,4,7-14,16-18H2.
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-(1-cyclopentylpiperidin-4-yl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)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-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45171120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).