piperidin-3-yl(propan-2-yl)carbamic acid

C9H18N2O2 — CID 68784521

IUPACpiperidin-3-yl(propan-2-yl)carbamic acid
SMILESCC(C)N(C(=O)O)C1CCCNC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11(9(12)13)8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLODXYUREICPCQS-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds2

About piperidin-3-yl(propan-2-yl)carbamic acid

piperidin-3-yl(propan-2-yl)carbamic acid (PubChem CID 68784521) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is piperidin-3-yl(propan-2-yl)carbamic acid.

Molecular Properties

Compound Namepiperidin-3-yl(propan-2-yl)carbamic acid
PubChem CID68784521
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepiperidin-3-yl(propan-2-yl)carbamic acid
SMILESCC(C)N(C(=O)O)C1CCCNC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11(9(12)13)8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLODXYUREICPCQS-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
1-fluorobutyl(piperidin-3-yl)carbamic acid
CID 146368395
N-cyclopentyl-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119291422
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
N-cyclopropyl-N-propan-2-ylpiperidin-3-amine
CID 83828573
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63299179
5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143821382
3-[ethyl(piperidin-3-yl)amino]-2-methylbutanoic acid
CID 79413481
(2S)-2-[(diaminomethylideneamino)-piperidin-3-ylamino]propanoic acid
CID 21158722
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
N-methyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63643925

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl(propan-2-yl)carbamic acid?
The IUPAC name of piperidin-3-yl(propan-2-yl)carbamic acid (CID 68784521) is piperidin-3-yl(propan-2-yl)carbamic acid.
What is the SMILES notation for piperidin-3-yl(propan-2-yl)carbamic acid?
The canonical SMILES for piperidin-3-yl(propan-2-yl)carbamic acid is CC(C)N(C(=O)O)C1CCCNC1.
What is the InChIKey of piperidin-3-yl(propan-2-yl)carbamic acid?
The InChIKey is LODXYUREICPCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)11(9(12)13)8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of piperidin-3-yl(propan-2-yl)carbamic acid?
piperidin-3-yl(propan-2-yl)carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl(propan-2-yl)carbamic acid is sourced from PubChem (CID 68784521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).