2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate

C12H24N2O3 — CID 79345508

IUPAC2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
SMILESCCCCN1CCC(NC(=O)OCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-2-3-6-14-7-4-11(5-8-14)13-12(16)17-10-9-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyQDMFHLKSHNZTEI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds6

About 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate

2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate (PubChem CID 79345508) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
PubChem CID79345508
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
SMILESCCCCN1CCC(NC(=O)OCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-2-3-6-14-7-4-11(5-8-14)13-12(16)17-10-9-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyQDMFHLKSHNZTEI-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]carbamate
CID 79346332
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
(2S)-2-amino-N-(1-butylpiperidin-4-yl)-3-methylpentanamide
CID 61173353
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
tert-butyl N-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-yl]carbamate
CID 156865630
N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110911537
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate (CID 79345508) is 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate is CCCCN1CCC(NC(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate?
The InChIKey is QDMFHLKSHNZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-3-6-14-7-4-11(5-8-14)13-12(16)17-10-9-15/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate?
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate is sourced from PubChem (CID 79345508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).