benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate

C14H20N2O3 — CID 129231388

IUPACbenzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)[C@H]1CNC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-16(12-7-13(17)9-15-8-12)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,15,17H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyCSSOQOIOWUBXIH-CHWSQXEVSA-N
MW264.32 g/mol
LogP0.98
Rot. Bonds3

About benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate

benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate (PubChem CID 129231388) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
PubChem CID129231388
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)[C@H]1CNC[C@H](O)C1
InChIInChI=1S/C14H20N2O3/c1-16(12-7-13(17)9-15-8-12)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,15,17H,7-10H2,1H3/t12-,13-/m1/s1
InChIKeyCSSOQOIOWUBXIH-CHWSQXEVSA-N
XLogP0.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate (CID 129231388) is benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)[C@H]1CNC[C@H](O)C1.
What is the InChIKey of benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate?
The InChIKey is CSSOQOIOWUBXIH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(12-7-13(17)9-15-8-12)14(18)19-10-11-5-3-2-4-6-11/h2-6,12-13,15,17H,7-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate?
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 129231388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).