2-(1-methylpiperidin-4-yl)ethyl carbamate

C9H18N2O2 — CID 141210995

IUPAC2-(1-methylpiperidin-4-yl)ethyl carbamate
SMILESCN1CCC(CCOC(N)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-5-2-8(3-6-11)4-7-13-9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeySBCSAZKRWDGVGU-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)ethyl carbamate

2-(1-methylpiperidin-4-yl)ethyl carbamate (PubChem CID 141210995) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)ethyl carbamate
PubChem CID141210995
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(1-methylpiperidin-4-yl)ethyl carbamate
SMILESCN1CCC(CCOC(N)=O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-5-2-8(3-6-11)4-7-13-9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeySBCSAZKRWDGVGU-UHFFFAOYSA-N
XLogP0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
prop-2-enyl 3-(1-methylpiperidin-4-yl)propanoate
CID 54057799
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270
S-methyl 3-(1-methylpiperidin-4-yl)propanethioate
CID 147245014
2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
CID 166107612
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
CID 114515518
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)ethyl carbamate?
The IUPAC name of 2-(1-methylpiperidin-4-yl)ethyl carbamate (CID 141210995) is 2-(1-methylpiperidin-4-yl)ethyl carbamate.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)ethyl carbamate?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)ethyl carbamate is CN1CCC(CCOC(N)=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)ethyl carbamate?
The InChIKey is SBCSAZKRWDGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-5-2-8(3-6-11)4-7-13-9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-(1-methylpiperidin-4-yl)ethyl carbamate?
2-(1-methylpiperidin-4-yl)ethyl carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)ethyl carbamate is sourced from PubChem (CID 141210995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).