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

C7H16N2 — CID 98186941

IUPAC(3R,4R)-1,3-dimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)CC[C@H]1N
InChIInChI=1S/C7H16N2/c1-6-5-9(2)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyWLFDKDVGHUCVFY-RNFRBKRXSA-N
MW128.22 g/mol
LogP0.29
Rot. Bonds

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

(3R,4R)-1,3-dimethylpiperidin-4-amine (PubChem CID 98186941) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3R,4R)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1,3-dimethylpiperidin-4-amine
PubChem CID98186941
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3R,4R)-1,3-dimethylpiperidin-4-amine
SMILESC[C@@H]1CN(C)CC[C@H]1N
InChIInChI=1S/C7H16N2/c1-6-5-9(2)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1
InChIKeyWLFDKDVGHUCVFY-RNFRBKRXSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
ethane;1,3,4-trimethylpiperidine
CID 142222872
1-hydroxy-3-methylpiperidin-4-amine
CID 70254159
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
1-(2-fluoroethyl)-3-methylpiperidin-4-amine
CID 80695776

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of (3R,4R)-1,3-dimethylpiperidin-4-amine (CID 98186941) is (3R,4R)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-1,3-dimethylpiperidin-4-amine is C[C@@H]1CN(C)CC[C@H]1N.
What is the InChIKey of (3R,4R)-1,3-dimethylpiperidin-4-amine?
The InChIKey is WLFDKDVGHUCVFY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-5-9(2)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-1,3-dimethylpiperidin-4-amine?
(3R,4R)-1,3-dimethylpiperidin-4-amine has a molecular weight of 128.22 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 98186941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).