1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine

C14H19N5 — CID 30982079

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1[nH]cnc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5/c1-12-13(17-11-16-12)10-18-6-8-19(9-7-18)14-4-2-3-5-15-14/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyNAGRVTOCAMJECC-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.44
Rot. Bonds3

About 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine

1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 30982079) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID30982079
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCc1[nH]cnc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N5/c1-12-13(17-11-16-12)10-18-6-8-19(9-7-18)14-4-2-3-5-15-14/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyNAGRVTOCAMJECC-UHFFFAOYSA-N
XLogP1.44
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepane
CID 101485956
3-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole
CID 74233728
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
1-(1H-imidazol-2-ylmethyl)-4-pyridin-2-yl-1,4-diazepane
CID 95811332
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
1-pyridin-2-yl-4-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
CID 11143376
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine (CID 30982079) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine is Cc1[nH]cnc1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is NAGRVTOCAMJECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-13(17-11-16-12)10-18-6-8-19(9-7-18)14-4-2-3-5-15-14/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 257.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 30982079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).