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

C12H24N2O3 — CID 23171365

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

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

(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate (PubChem CID 23171365) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
PubChem CID23171365
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
SMILESCCCCN1CCC(OC(=O)NCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-2-3-7-14-8-4-11(5-9-14)17-12(16)13-6-10-15/h11,15H,2-10H2,1H3,(H,13,16)
InChIKeyPORJGFWGBZEFHY-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

1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
cyclopropyl N-butylcarbamate
CID 165447718
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
1-butyl-N-propylpiperidine-4-carboxamide
CID 155706109
hexadecyl N-[2-(4-hydroxypiperidin-1-yl)ethyl]carbamate
CID 18968656
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
1-(3-hydroxypropyl)-N-propylpiperidine-4-carboxamide
CID 110884748
4-fluoro-1-octylpiperidine
CID 130358850
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
methyl 2-(1-butylpiperidin-4-yl)acetate
CID 29064272

Frequently Asked Questions

What is the IUPAC name of (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate?
The IUPAC name of (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate (CID 23171365) is (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate?
The canonical SMILES for (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate is CCCCN1CCC(OC(=O)NCCO)CC1.
What is the InChIKey of (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate?
The InChIKey is PORJGFWGBZEFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-3-7-14-8-4-11(5-9-14)17-12(16)13-6-10-15/h11,15H,2-10H2,1H3,(H,13,16).
What are the key properties of (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate?
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)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 (1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 23171365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).