(4R)-1-methylpiperidine-3,4-diamine

C6H15N3 — CID 145189555

IUPAC(4R)-1-methylpiperidine-3,4-diamine
SMILESCN1CC[C@@H](N)C(N)C1
InChIInChI=1S/C6H15N3/c1-9-3-2-5(7)6(8)4-9/h5-6H,2-4,7-8H2,1H3/t5-,6?/m1/s1
InChIKeyYZGPFBZRPUYRRO-LWOQYNTDSA-N
MW129.21 g/mol
LogP-1.02
Rot. Bonds

About (4R)-1-methylpiperidine-3,4-diamine

(4R)-1-methylpiperidine-3,4-diamine (PubChem CID 145189555) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is (4R)-1-methylpiperidine-3,4-diamine.

Molecular Properties

Compound Name(4R)-1-methylpiperidine-3,4-diamine
PubChem CID145189555
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name(4R)-1-methylpiperidine-3,4-diamine
SMILESCN1CC[C@@H](N)C(N)C1
InChIInChI=1S/C6H15N3/c1-9-3-2-5(7)6(8)4-9/h5-6H,2-4,7-8H2,1H3/t5-,6?/m1/s1
InChIKeyYZGPFBZRPUYRRO-LWOQYNTDSA-N
XLogP-1.02
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-methylpiperidine-3,4-diamine?
The IUPAC name of (4R)-1-methylpiperidine-3,4-diamine (CID 145189555) is (4R)-1-methylpiperidine-3,4-diamine.
What is the SMILES notation for (4R)-1-methylpiperidine-3,4-diamine?
The canonical SMILES for (4R)-1-methylpiperidine-3,4-diamine is CN1CC[C@@H](N)C(N)C1.
What is the InChIKey of (4R)-1-methylpiperidine-3,4-diamine?
The InChIKey is YZGPFBZRPUYRRO-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H15N3/c1-9-3-2-5(7)6(8)4-9/h5-6H,2-4,7-8H2,1H3/t5-,6?/m1/s1.
What are the key properties of (4R)-1-methylpiperidine-3,4-diamine?
(4R)-1-methylpiperidine-3,4-diamine has a molecular weight of 129.21 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-methylpiperidine-3,4-diamine is sourced from PubChem (CID 145189555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).