(3S,5R)-piperidine-3,5-diamine

C5H13N3 — CID 11171447

IUPAC(3S,5R)-piperidine-3,5-diamine
SMILESN[C@@H]1CNC[C@H](N)C1
InChIInChI=1S/C5H13N3/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3,6-7H2/t4-,5+
InChIKeyVMMXQCOKHQCHHD-SYDPRGILSA-N
MW115.18 g/mol
LogP-1.37
Rot. Bonds

About (3S,5R)-piperidine-3,5-diamine

(3S,5R)-piperidine-3,5-diamine (PubChem CID 11171447) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is (3S,5R)-piperidine-3,5-diamine.

Molecular Properties

Compound Name(3S,5R)-piperidine-3,5-diamine
PubChem CID11171447
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name(3S,5R)-piperidine-3,5-diamine
SMILESN[C@@H]1CNC[C@H](N)C1
InChIInChI=1S/C5H13N3/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3,6-7H2/t4-,5+
InChIKeyVMMXQCOKHQCHHD-SYDPRGILSA-N
XLogP-1.37
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-piperidine-3,5-diamine?
The IUPAC name of (3S,5R)-piperidine-3,5-diamine (CID 11171447) is (3S,5R)-piperidine-3,5-diamine.
What is the SMILES notation for (3S,5R)-piperidine-3,5-diamine?
The canonical SMILES for (3S,5R)-piperidine-3,5-diamine is N[C@@H]1CNC[C@H](N)C1.
What is the InChIKey of (3S,5R)-piperidine-3,5-diamine?
The InChIKey is VMMXQCOKHQCHHD-SYDPRGILSA-N. The full InChI is InChI=1S/C5H13N3/c6-4-1-5(7)3-8-2-4/h4-5,8H,1-3,6-7H2/t4-,5+.
What are the key properties of (3S,5R)-piperidine-3,5-diamine?
(3S,5R)-piperidine-3,5-diamine has a molecular weight of 115.18 g/mol, XLogP of -1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-piperidine-3,5-diamine is sourced from PubChem (CID 11171447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).