(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride

C10H21ClN2O2 — CID 174531197

IUPAC(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
SMILESCC(C)(CC1CCNCC1)OC(N)=O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(11)13)7-8-3-5-12-6-4-8;/h8,12H,3-7H2,1-2H3,(H2,11,13);1H
InChIKeyZVJQOGAODRRMEV-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.67
Rot. Bonds3

About (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride

(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride (PubChem CID 174531197) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride.

Molecular Properties

Compound Name(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
PubChem CID174531197
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Name(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
SMILESCC(C)(CC1CCNCC1)OC(N)=O.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(11)13)7-8-3-5-12-6-4-8;/h8,12H,3-7H2,1-2H3,(H2,11,13);1H
InChIKeyZVJQOGAODRRMEV-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-aminocyclopentyl)-2-methylpropan-2-yl] carbamate;hydrochloride
CID 174615976
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126
(1-cyclopropyl-2-methylpropan-2-yl) acetate
CID 174859828
[1-(3-ethoxycyclopentyl)-2-methylpropan-2-yl] carbamate
CID 142924239
2-methyl-2-(piperidin-4-ylmethylamino)propanamide
CID 79707226
[1-[1-[(2Z)-2-methoxyiminopropanoyl]piperidin-4-yl]-2-methylpropan-2-yl] carbamate
CID 175818033
[1-[(3R)-1-acetylpiperidin-3-yl]-2-methylpropan-2-yl] carbamate
CID 175269428
[1-[(7S)-5-azaspiro[2.4]heptan-7-yl]-2-methylpropan-2-yl] carbamate
CID 137366133
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657
(1-cyclopropyl-2-methylpropan-2-yl) 2,2,2-trifluoroacetate
CID 149076499
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride?
The IUPAC name of (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride (CID 174531197) is (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride.
What is the SMILES notation for (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride?
The canonical SMILES for (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride is CC(C)(CC1CCNCC1)OC(N)=O.Cl.
What is the InChIKey of (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride?
The InChIKey is ZVJQOGAODRRMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,14-9(11)13)7-8-3-5-12-6-4-8;/h8,12H,3-7H2,1-2H3,(H2,11,13);1H.
What are the key properties of (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride?
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride is sourced from PubChem (CID 174531197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).