[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate

C18H26N2O3 — CID 174664510

IUPAC[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)C1CC(CN2CCC(O)CC2)C1
InChIInChI=1S/C18H26N2O3/c19-18(22)23-17(14-4-2-1-3-5-14)15-10-13(11-15)12-20-8-6-16(21)7-9-20/h1-5,13,15-17,21H,6-12H2,(H2,19,22)
InChIKeyVMVGBIZTRODIAU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.31
Rot. Bonds5

About [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate

[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate (PubChem CID 174664510) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate
PubChem CID174664510
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)C1CC(CN2CCC(O)CC2)C1
InChIInChI=1S/C18H26N2O3/c19-18(22)23-17(14-4-2-1-3-5-14)15-10-13(11-15)12-20-8-6-16(21)7-9-20/h1-5,13,15-17,21H,6-12H2,(H2,19,22)
InChIKeyVMVGBIZTRODIAU-UHFFFAOYSA-N
XLogP2.31
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
CID 175222339
1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 56662037
[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
CID 69028746
[(2-acetylcyclohexyl)-phenylmethyl] carbamate
CID 151696114
[amino(phenyl)methyl] carbamate
CID 66688538
1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride
CID 21153862
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
phenyl 2-(4-hydroxypiperidin-1-yl)butanoate
CID 90768997
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl] carbamate
CID 177296654
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029

Frequently Asked Questions

What is the IUPAC name of [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate?
The IUPAC name of [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate (CID 174664510) is [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate.
What is the SMILES notation for [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate?
The canonical SMILES for [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate is NC(=O)OC(c1ccccc1)C1CC(CN2CCC(O)CC2)C1.
What is the InChIKey of [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate?
The InChIKey is VMVGBIZTRODIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-18(22)23-17(14-4-2-1-3-5-14)15-10-13(11-15)12-20-8-6-16(21)7-9-20/h1-5,13,15-17,21H,6-12H2,(H2,19,22).
What are the key properties of [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate?
[[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[(4-hydroxypiperidin-1-yl)methyl]cyclobutyl]-phenylmethyl] carbamate is sourced from PubChem (CID 174664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).