1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea

C12H25N3O2 — CID 110911531

IUPAC1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
SMILESCCCCN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-7-15-8-4-11(5-9-15)14-12(17)13-6-10-16/h11,16H,2-10H2,1H3,(H2,13,14,17)
InChIKeyLRYXVHROHUSONF-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.54
Rot. Bonds6

About 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea

1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea (PubChem CID 110911531) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
PubChem CID110911531
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
SMILESCCCCN1CCC(NC(=O)NCCO)CC1
InChIInChI=1S/C12H25N3O2/c1-2-3-7-15-8-4-11(5-9-15)14-12(17)13-6-10-16/h11,16H,2-10H2,1H3,(H2,13,14,17)
InChIKeyLRYXVHROHUSONF-UHFFFAOYSA-N
XLogP0.54
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-butyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 54039617
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea
CID 54286811
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
1-(1-butylpiperidin-4-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630831
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea (CID 110911531) is 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea is CCCCN1CCC(NC(=O)NCCO)CC1.
What is the InChIKey of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea?
The InChIKey is LRYXVHROHUSONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-3-7-15-8-4-11(5-9-15)14-12(17)13-6-10-16/h11,16H,2-10H2,1H3,(H2,13,14,17).
What are the key properties of 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea?
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea has a molecular weight of 243.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110911531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).