1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine

C18H30N4 — CID 50985482

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
SMILESCc1ccnc(N2CCN(CC3(C)CCN(C)CC3)CC2)c1
InChIInChI=1S/C18H30N4/c1-16-4-7-19-17(14-16)22-12-10-21(11-13-22)15-18(2)5-8-20(3)9-6-18/h4,7,14H,5-6,8-13,15H2,1-3H3
InChIKeyNQNLWVWZDAVFKG-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.24
Rot. Bonds3

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine

1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine (PubChem CID 50985482) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
PubChem CID50985482
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
SMILESCc1ccnc(N2CCN(CC3(C)CCN(C)CC3)CC2)c1
InChIInChI=1S/C18H30N4/c1-16-4-7-19-17(14-16)22-12-10-21(11-13-22)15-18(2)5-8-20(3)9-6-18/h4,7,14H,5-6,8-13,15H2,1-3H3
InChIKeyNQNLWVWZDAVFKG-UHFFFAOYSA-N
XLogP2.24
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine
CID 162408039
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
(2R)-2-ethyl-2-methyl-4-(4-methyl-2-pyridinyl)morpholine
CID 125138316
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67374237
1-(3-methylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine
CID 111048994
2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-6-nitro-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 19018637
1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one
CID 70474650
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine (CID 50985482) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine is Cc1ccnc(N2CCN(CC3(C)CCN(C)CC3)CC2)c1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine?
The InChIKey is NQNLWVWZDAVFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-16-4-7-19-17(14-16)22-12-10-21(11-13-22)15-18(2)5-8-20(3)9-6-18/h4,7,14H,5-6,8-13,15H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine has a molecular weight of 302.47 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 50985482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).