1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea

C14H29N3O2 — CID 110016967

IUPAC1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea
SMILESCC1CCCC(CO)N1CCNC(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-11-6-5-7-12(10-18)17(11)9-8-15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19)
InChIKeyINDGCRWHHCJEER-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.32
Rot. Bonds4

About 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea

1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea (PubChem CID 110016967) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea
PubChem CID110016967
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea
SMILESCC1CCCC(CO)N1CCNC(=O)NC(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-11-6-5-7-12(10-18)17(11)9-8-15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19)
InChIKeyINDGCRWHHCJEER-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea (CID 110016967) is 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea is CC1CCCC(CO)N1CCNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea?
The InChIKey is INDGCRWHHCJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11-6-5-7-12(10-18)17(11)9-8-15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea?
1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]ethyl]urea is sourced from PubChem (CID 110016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).