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

C17H28N2O — CID 62612776

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCN(C)CC1CCN(CCC(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-18(2)14-15-8-11-19(12-9-15)13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3
InChIKeyDBEUHTALKFHAER-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.38
Rot. Bonds6

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

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 62612776) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID62612776
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCN(C)CC1CCN(CCC(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-18(2)14-15-8-11-19(12-9-15)13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3
InChIKeyDBEUHTALKFHAER-UHFFFAOYSA-N
XLogP2.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-1-phenylpropan-1-ol
CID 62617802
3-(4-ethoxypiperidin-1-yl)-1-phenylpropan-1-ol
CID 62612441
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
CID 62619458
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol (CID 62612776) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol is CN(C)CC1CCN(CCC(O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is DBEUHTALKFHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18(2)14-15-8-11-19(12-9-15)13-10-17(20)16-6-4-3-5-7-16/h3-7,15,17,20H,8-14H2,1-2H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.38, 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]-1-phenylpropan-1-ol is sourced from PubChem (CID 62612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).