benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid

C14H20N2O3 — CID 168862112

IUPACbenzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@H]1CNCC[C@H]1N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-19-13-9-15-8-7-12(13)16(14(17)18)10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyUZLPHFLAYVRVLE-OLZOCXBDSA-N
MW264.32 g/mol
LogP1.54
Rot. Bonds4

About benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid

benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid (PubChem CID 168862112) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
PubChem CID168862112
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@H]1CNCC[C@H]1N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-19-13-9-15-8-7-12(13)16(14(17)18)10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyUZLPHFLAYVRVLE-OLZOCXBDSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid?
The IUPAC name of benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid (CID 168862112) is benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid?
The canonical SMILES for benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid is CO[C@H]1CNCC[C@H]1N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid?
The InChIKey is UZLPHFLAYVRVLE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-9-15-8-7-12(13)16(14(17)18)10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid?
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid has a molecular weight of 264.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 168862112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).