[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

C18H27FN2O — CID 91787813

IUPAC[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O/c19-17-6-2-1-5-16(17)13-20-11-7-18(15-22,8-12-20)14-21-9-3-4-10-21/h1-2,5-6,22H,3-4,7-15H2
InChIKeyAJJHMZWGNWMHAU-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.50
Rot. Bonds5

About [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol

[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91787813) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91787813
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN2O/c19-17-6-2-1-5-16(17)13-20-11-7-18(15-22,8-12-20)14-21-9-3-4-10-21/h1-2,5-6,22H,3-4,7-15H2
InChIKeyAJJHMZWGNWMHAU-UHFFFAOYSA-N
XLogP2.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191979
2-[4-(2,5-Difluorobenzyl)-1-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723219
2-[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723283
2-[(2S)-1-benzyl-4-butylpiperazin-2-yl]ethanol
CID 90655533
2-[(2S)-1-benzyl-4-(3-methylbutyl)piperazin-2-yl]ethanol
CID 90655534
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
2-[4-(Cyclopropylmethyl)-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723836

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91787813) is [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is OCC1(CN2CCCC2)CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is AJJHMZWGNWMHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c19-17-6-2-1-5-16(17)13-20-11-7-18(15-22,8-12-20)14-21-9-3-4-10-21/h1-2,5-6,22H,3-4,7-15H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 306.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91787813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).