(3R,4S)-3,4-dimethylpiperidin-1-amine

C7H16N2 — CID 58622765

IUPAC(3R,4S)-3,4-dimethylpiperidin-1-amine
SMILESC[C@H]1CCN(N)C[C@@H]1C
InChIInChI=1S/C7H16N2/c1-6-3-4-9(8)5-7(6)2/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKeyBVOBIEAAHDJBLR-BQBZGAKWSA-N
MW128.22 g/mol
LogP0.84
Rot. Bonds

About (3R,4S)-3,4-dimethylpiperidin-1-amine

(3R,4S)-3,4-dimethylpiperidin-1-amine (PubChem CID 58622765) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethylpiperidin-1-amine.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethylpiperidin-1-amine
PubChem CID58622765
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3R,4S)-3,4-dimethylpiperidin-1-amine
SMILESC[C@H]1CCN(N)C[C@@H]1C
InChIInChI=1S/C7H16N2/c1-6-3-4-9(8)5-7(6)2/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1
InChIKeyBVOBIEAAHDJBLR-BQBZGAKWSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4-Methylpiperidin-1-amine
CID 3733587
1,3,5-Tributyl-hexahydrotriazin
CID 21325298
1,3,5-Tripropyl-1,3,5-hexahydrotriazine
CID 21325300
3-(Fluoromethyl)-5-methylpiperidin-1-amine
CID 135137988
(3R,4S)-3-fluoro-4-methylpiperidin-1-amine
CID 144819078
(3S,5S)-3-fluoro-5-methylpiperidin-1-amine
CID 155111196
3,5-Dimethylpiperidin-1-amine
CID 17604018
4-(2-Aminoethyl)piperidin-1-amine
CID 18411126
3,3-Dimethylpiperidin-1-amine
CID 19376010
4-Methylpiperidin-1-amine hydrochloride
CID 21255896
1,3,5-Tris(2-methylpropyl)triazinane
CID 21437128
4-Cyclopropyl-3-methylpiperidin-1-amine
CID 22278862

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethylpiperidin-1-amine?
The IUPAC name of (3R,4S)-3,4-dimethylpiperidin-1-amine (CID 58622765) is (3R,4S)-3,4-dimethylpiperidin-1-amine.
What is the SMILES notation for (3R,4S)-3,4-dimethylpiperidin-1-amine?
The canonical SMILES for (3R,4S)-3,4-dimethylpiperidin-1-amine is C[C@H]1CCN(N)C[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethylpiperidin-1-amine?
The InChIKey is BVOBIEAAHDJBLR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-3-4-9(8)5-7(6)2/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethylpiperidin-1-amine?
(3R,4S)-3,4-dimethylpiperidin-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethylpiperidin-1-amine is sourced from PubChem (CID 58622765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).