1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine

C15H25N3 — CID 155471370

IUPAC1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(C)C(C)C2)cn1
InChIInChI=1S/C15H25N3/c1-12(2)15-6-5-14(9-16-15)11-18-8-7-17(4)13(3)10-18/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyKERSNCPDZUTVPI-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.34
Rot. Bonds3

About 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine

1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine (PubChem CID 155471370) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
PubChem CID155471370
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(C)C(C)C2)cn1
InChIInChI=1S/C15H25N3/c1-12(2)15-6-5-14(9-16-15)11-18-8-7-17(4)13(3)10-18/h5-6,9,12-13H,7-8,10-11H2,1-4H3
InChIKeyKERSNCPDZUTVPI-UHFFFAOYSA-N
XLogP2.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
4-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 98533465
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetic acid
CID 105346018
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633712
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63619611
4-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1-sulfanylpiperazine
CID 146626077
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 103865064

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine (CID 155471370) is 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine is CC(C)c1ccc(CN2CCN(C)C(C)C2)cn1.
What is the InChIKey of 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine?
The InChIKey is KERSNCPDZUTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)15-6-5-14(9-16-15)11-18-8-7-17(4)13(3)10-18/h5-6,9,12-13H,7-8,10-11H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine?
1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 155471370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).