1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol

C20H34N2O2 — CID 111858533

IUPAC1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C20H34N2O2/c1-16(2)24-15-19(23)14-21(4)20-10-11-22(12-17(20)3)13-18-8-6-5-7-9-18/h5-9,16-17,19-20,23H,10-15H2,1-4H3
InChIKeyABXVJGDXTQOZIZ-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.61
Rot. Bonds8

About 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol

1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 111858533) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID111858533
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C1CCN(Cc2ccccc2)CC1C
InChIInChI=1S/C20H34N2O2/c1-16(2)24-15-19(23)14-21(4)20-10-11-22(12-17(20)3)13-18-8-6-5-7-9-18/h5-9,16-17,19-20,23H,10-15H2,1-4H3
InChIKeyABXVJGDXTQOZIZ-UHFFFAOYSA-N
XLogP2.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
1-(3-methyl-4-phenylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 111462788
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol (CID 111858533) is 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)C1CCN(Cc2ccccc2)CC1C.
What is the InChIKey of 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ABXVJGDXTQOZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-16(2)24-15-19(23)14-21(4)20-10-11-22(12-17(20)3)13-18-8-6-5-7-9-18/h5-9,16-17,19-20,23H,10-15H2,1-4H3.
What are the key properties of 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol?
1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 334.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3-methylpiperidin-4-yl)-methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111858533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).