(2-methyl-1-piperidin-4-ylpropyl)carbamic acid

C10H20N2O2 — CID 22394362

IUPAC(2-methyl-1-piperidin-4-ylpropyl)carbamic acid
SMILESCC(C)C(NC(=O)O)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(12-10(13)14)8-3-5-11-6-4-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyLCENBTFPAWBCEH-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.28
Rot. Bonds3

About (2-methyl-1-piperidin-4-ylpropyl)carbamic acid

(2-methyl-1-piperidin-4-ylpropyl)carbamic acid (PubChem CID 22394362) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2-methyl-1-piperidin-4-ylpropyl)carbamic acid.

Molecular Properties

Compound Name(2-methyl-1-piperidin-4-ylpropyl)carbamic acid
PubChem CID22394362
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2-methyl-1-piperidin-4-ylpropyl)carbamic acid
SMILESCC(C)C(NC(=O)O)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(12-10(13)14)8-3-5-11-6-4-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyLCENBTFPAWBCEH-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-piperidin-4-ylpropyl)carbamic acid?
The IUPAC name of (2-methyl-1-piperidin-4-ylpropyl)carbamic acid (CID 22394362) is (2-methyl-1-piperidin-4-ylpropyl)carbamic acid.
What is the SMILES notation for (2-methyl-1-piperidin-4-ylpropyl)carbamic acid?
The canonical SMILES for (2-methyl-1-piperidin-4-ylpropyl)carbamic acid is CC(C)C(NC(=O)O)C1CCNCC1.
What is the InChIKey of (2-methyl-1-piperidin-4-ylpropyl)carbamic acid?
The InChIKey is LCENBTFPAWBCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(12-10(13)14)8-3-5-11-6-4-8/h7-9,11-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of (2-methyl-1-piperidin-4-ylpropyl)carbamic acid?
(2-methyl-1-piperidin-4-ylpropyl)carbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-piperidin-4-ylpropyl)carbamic acid is sourced from PubChem (CID 22394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).