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

C20H32N2O — CID 91783379

IUPAC[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCCc1ccc(CN2CCC(CO)(CN3CCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-2-18-5-7-19(8-6-18)15-21-13-9-20(17-23,10-14-21)16-22-11-3-4-12-22/h5-8,23H,2-4,9-17H2,1H3
InChIKeyLSMAWHZMBONVIL-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.92
Rot. Bonds6

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

[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91783379) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91783379
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCCc1ccc(CN2CCC(CO)(CN3CCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-2-18-5-7-19(8-6-18)15-21-13-9-20(17-23,10-14-21)16-22-11-3-4-12-22/h5-8,23H,2-4,9-17H2,1H3
InChIKeyLSMAWHZMBONVIL-UHFFFAOYSA-N
XLogP2.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chloro-2-fluorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91767002
[1-[(2-butan-2-yloxyphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91763901
[1-[(1-ethylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91791648
[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91787374
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 91778733
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
CID 66700957
1-benzylpyrrolidine;propane
CID 143692089
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900

Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91783379) is [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is CCc1ccc(CN2CCC(CO)(CN3CCCC3)CC2)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is LSMAWHZMBONVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-18-5-7-19(8-6-18)15-21-13-9-20(17-23,10-14-21)16-22-11-3-4-12-22/h5-8,23H,2-4,9-17H2,1H3.
What are the key properties of [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 316.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91783379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).