1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea

C13H26N4O — CID 18678573

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea
SMILESNCC1CCN(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H26N4O/c14-10-11-6-8-17(9-7-11)16-13(18)15-12-4-2-1-3-5-12/h11-12H,1-10,14H2,(H2,15,16,18)
InChIKeyHQYPBLVVTXKTDR-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.20
Rot. Bonds3

About 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea

1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea (PubChem CID 18678573) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea
PubChem CID18678573
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea
SMILESNCC1CCN(NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C13H26N4O/c14-10-11-6-8-17(9-7-11)16-13(18)15-12-4-2-1-3-5-12/h11-12H,1-10,14H2,(H2,15,16,18)
InChIKeyHQYPBLVVTXKTDR-UHFFFAOYSA-N
XLogP1.20
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea (CID 18678573) is 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea is NCC1CCN(NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea?
The InChIKey is HQYPBLVVTXKTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c14-10-11-6-8-17(9-7-11)16-13(18)15-12-4-2-1-3-5-12/h11-12H,1-10,14H2,(H2,15,16,18).
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea?
1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea has a molecular weight of 254.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-cyclohexylurea is sourced from PubChem (CID 18678573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).