piperidin-4-ylmethanamine

C6H14N2 — CID 23527

IUPACpiperidin-4-ylmethanamine
SMILESNCC1CCNCC1
InChIInChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
InChIKeyLTEKQAPRXFBRNN-UHFFFAOYSA-N
MW114.19 g/mol
LogP-0.06
Rot. Bonds1

About piperidin-4-ylmethanamine

piperidin-4-ylmethanamine (PubChem CID 23527) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is piperidin-4-ylmethanamine.

Molecular Properties

Compound Namepiperidin-4-ylmethanamine
PubChem CID23527
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namepiperidin-4-ylmethanamine
SMILESNCC1CCNCC1
InChIInChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
InChIKeyLTEKQAPRXFBRNN-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanamine?
The IUPAC name of piperidin-4-ylmethanamine (CID 23527) is piperidin-4-ylmethanamine.
What is the SMILES notation for piperidin-4-ylmethanamine?
The canonical SMILES for piperidin-4-ylmethanamine is NCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethanamine?
The InChIKey is LTEKQAPRXFBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2.
What are the key properties of piperidin-4-ylmethanamine?
piperidin-4-ylmethanamine has a molecular weight of 114.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanamine is sourced from PubChem (CID 23527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).