(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone

C20H30N2O2 — CID 99718329

IUPAC(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C20H30N2O2/c1-16-8-11-22(15-18(16)23)19(24)20(2)9-12-21(13-10-20)14-17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyOWHOHVDBHFCILX-FUHWJXTLSA-N
MW330.47 g/mol
LogP2.52
Rot. Bonds3

About (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone

(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone (PubChem CID 99718329) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
PubChem CID99718329
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1O
InChIInChI=1S/C20H30N2O2/c1-16-8-11-22(15-18(16)23)19(24)20(2)9-12-21(13-10-20)14-17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3/t16-,18+/m0/s1
InChIKeyOWHOHVDBHFCILX-FUHWJXTLSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036847
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
(1-benzyl-4-methylpiperidin-4-yl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 124949773
1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579598

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone (CID 99718329) is (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone is C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1O.
What is the InChIKey of (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is OWHOHVDBHFCILX-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-8-11-22(15-18(16)23)19(24)20(2)9-12-21(13-10-20)14-17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone?
(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 99718329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).