methyl(2-piperidin-4-ylethyl)carbamic acid

C9H18N2O2 — CID 69061019

IUPACmethyl(2-piperidin-4-ylethyl)carbamic acid
SMILESCN(CCC1CCNCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-11(9(12)13)7-4-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyZZXMJZRCLLNYGE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.99
Rot. Bonds3

About methyl(2-piperidin-4-ylethyl)carbamic acid

methyl(2-piperidin-4-ylethyl)carbamic acid (PubChem CID 69061019) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl(2-piperidin-4-ylethyl)carbamic acid.

Molecular Properties

Compound Namemethyl(2-piperidin-4-ylethyl)carbamic acid
PubChem CID69061019
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl(2-piperidin-4-ylethyl)carbamic acid
SMILESCN(CCC1CCNCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-11(9(12)13)7-4-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyZZXMJZRCLLNYGE-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
CID 54945242
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N,2,2-trimethyl-N-(2-piperidin-4-ylethyl)cyclohexane-1-carboxamide
CID 107176802
4-ethyl-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60915091
tert-butyl N-methyl-N-(2-pyrrolidin-3-ylethyl)carbamate
CID 53419825
methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid
CID 22294185
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033
N-ethyl-N-methyl-2-piperidin-4-ylethanamine
CID 43263497
3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
CID 103206908

Frequently Asked Questions

What is the IUPAC name of methyl(2-piperidin-4-ylethyl)carbamic acid?
The IUPAC name of methyl(2-piperidin-4-ylethyl)carbamic acid (CID 69061019) is methyl(2-piperidin-4-ylethyl)carbamic acid.
What is the SMILES notation for methyl(2-piperidin-4-ylethyl)carbamic acid?
The canonical SMILES for methyl(2-piperidin-4-ylethyl)carbamic acid is CN(CCC1CCNCC1)C(=O)O.
What is the InChIKey of methyl(2-piperidin-4-ylethyl)carbamic acid?
The InChIKey is ZZXMJZRCLLNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(9(12)13)7-4-8-2-5-10-6-3-8/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of methyl(2-piperidin-4-ylethyl)carbamic acid?
methyl(2-piperidin-4-ylethyl)carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-piperidin-4-ylethyl)carbamic acid is sourced from PubChem (CID 69061019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).