1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol

C21H35N3O — CID 110905075

IUPAC1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N3O/c1-19-7-10-23(11-8-19)17-21(25)18-24-15-13-22(14-16-24)12-9-20-5-3-2-4-6-20/h2-6,19,21,25H,7-18H2,1H3
InChIKeyKEMRWOQLXINROZ-UHFFFAOYSA-N
MW345.53 g/mol
LogP1.94
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol

1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol (PubChem CID 110905075) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
PubChem CID110905075
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)CN2CCN(CCc3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N3O/c1-19-7-10-23(11-8-19)17-21(25)18-24-15-13-22(14-16-24)12-9-20-5-3-2-4-6-20/h2-6,19,21,25H,7-18H2,1H3
InChIKeyKEMRWOQLXINROZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-phenylbutanamide
CID 111112699
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol (CID 110905075) is 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol is CC1CCN(CC(O)CN2CCN(CCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is KEMRWOQLXINROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-19-7-10-23(11-8-19)17-21(25)18-24-15-13-22(14-16-24)12-9-20-5-3-2-4-6-20/h2-6,19,21,25H,7-18H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 345.53 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 110905075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).