3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol

C22H30N2O — CID 77094866

IUPAC3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
SMILESCN(c1ccccc1)c1ccc(CN2CCCC(CCCO)C2)cc1
InChIInChI=1S/C22H30N2O/c1-23(21-9-3-2-4-10-21)22-13-11-20(12-14-22)18-24-15-5-7-19(17-24)8-6-16-25/h2-4,9-14,19,25H,5-8,15-18H2,1H3
InChIKeyCHXLIGNDBDMSME-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.44
Rot. Bonds7

About 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol

3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol (PubChem CID 77094866) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
PubChem CID77094866
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol
SMILESCN(c1ccccc1)c1ccc(CN2CCCC(CCCO)C2)cc1
InChIInChI=1S/C22H30N2O/c1-23(21-9-3-2-4-10-21)22-13-11-20(12-14-22)18-24-15-5-7-19(17-24)8-6-16-25/h2-4,9-14,19,25H,5-8,15-18H2,1H3
InChIKeyCHXLIGNDBDMSME-UHFFFAOYSA-N
XLogP4.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51636089
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
3-[1-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]propan-1-ol
CID 45207605
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
CID 99943301
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol (CID 77094866) is 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol is CN(c1ccccc1)c1ccc(CN2CCCC(CCCO)C2)cc1.
What is the InChIKey of 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol?
The InChIKey is CHXLIGNDBDMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-23(21-9-3-2-4-10-21)22-13-11-20(12-14-22)18-24-15-5-7-19(17-24)8-6-16-25/h2-4,9-14,19,25H,5-8,15-18H2,1H3.
What are the key properties of 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol?
3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(N-methylanilino)phenyl]methyl]piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 77094866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).