[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate

C14H18ClNO3 — CID 68807567

IUPAC[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-16-8-7-12(10-3-5-11(15)6-4-10)13(9-16)19-14(17)18-2/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyBWNNRTICJSSSQN-OLZOCXBDSA-N
MW283.76 g/mol
LogP2.91
Rot. Bonds2

About [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate

[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate (PubChem CID 68807567) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
PubChem CID68807567
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Name[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-16-8-7-12(10-3-5-11(15)6-4-10)13(9-16)19-14(17)18-2/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyBWNNRTICJSSSQN-OLZOCXBDSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 22649568
(4R)-4-(4-chlorophenyl)-1-methyl-3-propan-2-ylpiperidine
CID 70966986
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
CID 11471946
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-methylacetamide
CID 11301852
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide
CID 11382361
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-methylacetamide
CID 11439307
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]ethanol
CID 11594586
methyl (3R,4R)-4-(4-chlorophenyl)sulfanyl-1-methylpiperidine-3-carboxylate
CID 14063145
methyl (1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 644015

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate?
The IUPAC name of [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate (CID 68807567) is [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate.
What is the SMILES notation for [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate?
The canonical SMILES for [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate is COC(=O)O[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate?
The InChIKey is BWNNRTICJSSSQN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-16-8-7-12(10-3-5-11(15)6-4-10)13(9-16)19-14(17)18-2/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate?
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate has a molecular weight of 283.76 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate is sourced from PubChem (CID 68807567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).