1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide

C18H24N4O — CID 18357040

IUPAC1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide
SMILESCNC=O.c1ccc(CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H19N3.C2H5NO/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16;1-3-2-4/h1-9H,10-14H2;2H,1H3,(H,3,4)
InChIKeyKBBSKBOGKDULPI-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.77
Rot. Bonds4

About 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide

1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide (PubChem CID 18357040) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide.

Molecular Properties

Compound Name1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide
PubChem CID18357040
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide
SMILESCNC=O.c1ccc(CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C16H19N3.C2H5NO/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16;1-3-2-4/h1-9H,10-14H2;2H,1H3,(H,3,4)
InChIKeyKBBSKBOGKDULPI-UHFFFAOYSA-N
XLogP1.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-ethylaniline
CID 19911465
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 21274449
N-[[1-[[3-(3,5-dichlorophenyl)-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]methyl]formamide
CID 176957056
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
4-benzyl-5-methyl-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione
CID 9280449
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-[4-(4-benzylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168519018

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide?
The IUPAC name of 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide (CID 18357040) is 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide.
What is the SMILES notation for 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide?
The canonical SMILES for 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide is CNC=O.c1ccc(CN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide?
The InChIKey is KBBSKBOGKDULPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3.C2H5NO/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16;1-3-2-4/h1-9H,10-14H2;2H,1H3,(H,3,4).
What are the key properties of 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide?
1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide has a molecular weight of 312.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pyridin-4-ylpiperazine;N-methylformamide is sourced from PubChem (CID 18357040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).