(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride

C8H17ClN2O2 — CID 68989076

IUPAC(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
SMILESCCN1CCC(NC(=O)O)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-10-5-3-7(4-6-10)9-8(11)12;/h7,9H,2-6H2,1H3,(H,11,12);1H
InChIKeyHQUQGKOACGBODQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP1.16
Rot. Bonds2

About (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride

(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride (PubChem CID 68989076) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
PubChem CID68989076
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
SMILESCCN1CCC(NC(=O)O)CC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-10-5-3-7(4-6-10)9-8(11)12;/h7,9H,2-6H2,1H3,(H,11,12);1H
InChIKeyHQUQGKOACGBODQ-UHFFFAOYSA-N
XLogP1.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-ethylpiperidin-4-yl)amino]acetic acid
CID 43135208
N-(1-ethylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62637523
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428
2-(tert-butylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 78986739
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279
N-(1-ethylpiperidin-4-yl)hydroxylamine
CID 82685178
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride?
The IUPAC name of (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride (CID 68989076) is (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride.
What is the SMILES notation for (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride?
The canonical SMILES for (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride is CCN1CCC(NC(=O)O)CC1.Cl.
What is the InChIKey of (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride?
The InChIKey is HQUQGKOACGBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-2-10-5-3-7(4-6-10)9-8(11)12;/h7,9H,2-6H2,1H3,(H,11,12);1H.
What are the key properties of (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride?
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 68989076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).