3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol

C18H30N2O — CID 62617802

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCC(CN(C)C)CC1)C(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(18(21)17-7-5-4-6-8-17)13-20-11-9-16(10-12-20)14-19(2)3/h4-8,15-16,18,21H,9-14H2,1-3H3
InChIKeyJFCXEYYKKQCEEJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.63
Rot. Bonds6

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62617802) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
PubChem CID62617802
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN1CCC(CN(C)C)CC1)C(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-15(18(21)17-7-5-4-6-8-17)13-20-11-9-16(10-12-20)14-19(2)3/h4-8,15-16,18,21H,9-14H2,1-3H3
InChIKeyJFCXEYYKKQCEEJ-UHFFFAOYSA-N
XLogP2.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1-phenylpropan-1-ol
CID 62618309
benzoic acid;4-[3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 174298684
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
[(1R,2S)-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106761
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 63067293
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107520322

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol (CID 62617802) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol is CC(CN1CCC(CN(C)C)CC1)C(O)c1ccccc1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is JFCXEYYKKQCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(18(21)17-7-5-4-6-8-17)13-20-11-9-16(10-12-20)14-19(2)3/h4-8,15-16,18,21H,9-14H2,1-3H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62617802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).