[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

C12H24N2O2 — CID 175173209

IUPAC[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC1(C)CNC[C@@H](CC(C)(C)NC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-11(2)5-9(7-13-8-11)6-12(3,4)14-10(15)16/h9,13-14H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeySDVPSBQBBKOGAO-SECBINFHSA-N
MW228.34 g/mol
LogP2.06
Rot. Bonds3

About [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid

[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175173209) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175173209
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC1(C)CNC[C@@H](CC(C)(C)NC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-11(2)5-9(7-13-8-11)6-12(3,4)14-10(15)16/h9,13-14H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeySDVPSBQBBKOGAO-SECBINFHSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(hydroxymethyl)-4-(trifluoromethyl)cyclohexyl]-2-methylpropan-2-yl]carbamic acid
CID 175577929
[2-methyl-5-(5-methyl-2-oxo-1,3-oxazolidin-5-yl)pentan-2-yl]carbamic acid
CID 175351195
[1-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-2-yl]carbamic acid
CID 175542912
methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
CID 178134303
[1-[4-(1,1-difluoro-2-methoxyethyl)-4-hydroxycyclohexyl]-2-methylpropan-2-yl]carbamic acid
CID 175578019
2-(azetidin-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 64616558
methyl (3S)-5-(2,2-dimethylpropyl)-3-(2-methoxyethyl)piperidine-3-carboxylate;molecular hydrogen
CID 178133379
[1-[1-(2-hydroxy-2-methylpropyl)-6-(trifluoromethyl)piperidin-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 175578036
N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 166289427
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
(4-amino-2-methylbutan-2-yl)carbamic acid;hydrochloride
CID 118419337
tert-butylcarbamic acid;piperazine
CID 70137961

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid (CID 175173209) is [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is CC1(C)CNC[C@@H](CC(C)(C)NC(=O)O)C1.
What is the InChIKey of [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is SDVPSBQBBKOGAO-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)5-9(7-13-8-11)6-12(3,4)14-10(15)16/h9,13-14H,5-8H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-5,5-dimethylpiperidin-3-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175173209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).