1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea

C14H29N3O2 — CID 71860781

IUPAC1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
SMILESCC(C)CCN1CCC(CNC(=O)NCCO)CC1
InChIInChI=1S/C14H29N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-16-14(19)15-6-10-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyGHLPPAOPXNVWIG-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.04
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea

1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea (PubChem CID 71860781) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
PubChem CID71860781
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
SMILESCC(C)CCN1CCC(CNC(=O)NCCO)CC1
InChIInChI=1S/C14H29N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-16-14(19)15-6-10-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyGHLPPAOPXNVWIG-UHFFFAOYSA-N
XLogP1.04
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea (CID 71860781) is 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea is CC(C)CCN1CCC(CNC(=O)NCCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The InChIKey is GHLPPAOPXNVWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(2)3-7-17-8-4-13(5-9-17)11-16-14(19)15-6-10-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 71860781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).