methyl 4-aminopiperidine-1-carboxylate;hydrochloride

C7H15ClN2O2 — CID 53256203

IUPACmethyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-2-6(8)3-5-9;/h6H,2-5,8H2,1H3;1H
InChIKeyDADTUVVFWZTHDZ-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.60
Rot. Bonds

About methyl 4-aminopiperidine-1-carboxylate;hydrochloride

methyl 4-aminopiperidine-1-carboxylate;hydrochloride (PubChem CID 53256203) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is methyl 4-aminopiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-aminopiperidine-1-carboxylate;hydrochloride
PubChem CID53256203
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Namemethyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-2-6(8)3-5-9;/h6H,2-5,8H2,1H3;1H
InChIKeyDADTUVVFWZTHDZ-UHFFFAOYSA-N
XLogP0.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
4-Amino-1-piperidinecarboxylic acid
CID 445262
Butyl 4-aminopiperidine-1-carboxylate
CID 23025360
Methyl 4-(dimethylamino)piperidine-1-carboxylate
CID 20770676
Methyl 3-aminopiperidine-1-carboxylate
CID 22273098
Methyl 4-aminopiperidine-1-carboxylate
CID 28377655
methyl N-(piperidin-4-yl)carbamate hydrochloride
CID 67248274
methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
CID 118918518
Methyl N-(piperidin-4-yl)carbamate
CID 15676960
Ethyl N-methyl-N-(piperidin-4-YL)carbamate
CID 19761240
Ethyl 4-aminopiperidine-1-carboxylate monohydrochloride
CID 3016841

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The IUPAC name of methyl 4-aminopiperidine-1-carboxylate;hydrochloride (CID 53256203) is methyl 4-aminopiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-aminopiperidine-1-carboxylate;hydrochloride is COC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The InChIKey is DADTUVVFWZTHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-4-2-6(8)3-5-9;/h6H,2-5,8H2,1H3;1H.
What are the key properties of methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
methyl 4-aminopiperidine-1-carboxylate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminopiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 53256203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).