(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine

C12H22N4 — CID 174423288

IUPAC(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCc1nn(C)cc1N1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C12H22N4/c1-10-12(9-15(4)13-10)16-7-5-6-11(8-16)14(2)3/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyWBNLLNWRVDRCML-LLVKDONJSA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds2

About (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine

(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 174423288) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID174423288
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCc1nn(C)cc1N1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C12H22N4/c1-10-12(9-15(4)13-10)16-7-5-6-11(8-16)14(2)3/h9,11H,5-8H2,1-4H3/t11-/m1/s1
InChIKeyWBNLLNWRVDRCML-LLVKDONJSA-N
XLogP1.26
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine (CID 174423288) is (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine is Cc1nn(C)cc1N1CCC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is WBNLLNWRVDRCML-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-12(9-15(4)13-10)16-7-5-6-11(8-16)14(2)3/h9,11H,5-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine?
(3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,3-dimethylpyrazol-4-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 174423288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).