[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C19H29FN2O — CID 91782351

IUPAC[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCc1cc(CN2CCC(CO)(CN3CCCC3)CC2)ccc1F
InChIInChI=1S/C19H29FN2O/c1-16-12-17(4-5-18(16)20)13-21-10-6-19(15-23,7-11-21)14-22-8-2-3-9-22/h4-5,12,23H,2-3,6-11,13-15H2,1H3
InChIKeyUITNIFDPEHFMJX-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.80
Rot. Bonds5

About [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91782351) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91782351
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCc1cc(CN2CCC(CO)(CN3CCCC3)CC2)ccc1F
InChIInChI=1S/C19H29FN2O/c1-16-12-17(4-5-18(16)20)13-21-10-6-19(15-23,7-11-21)14-22-8-2-3-9-22/h4-5,12,23H,2-3,6-11,13-15H2,1H3
InChIKeyUITNIFDPEHFMJX-UHFFFAOYSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91782351) is [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is Cc1cc(CN2CCC(CO)(CN3CCCC3)CC2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is UITNIFDPEHFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-16-12-17(4-5-18(16)20)13-21-10-6-19(15-23,7-11-21)14-22-8-2-3-9-22/h4-5,12,23H,2-3,6-11,13-15H2,1H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 320.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91782351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).