1-[phenyl(pyridin-4-yl)methyl]piperazine

C16H19N3 — CID 5035634

IUPAC1-[phenyl(pyridin-4-yl)methyl]piperazine
SMILESc1ccc(C(c2ccncc2)N2CCNCC2)cc1
InChIInChI=1S/C16H19N3/c1-2-4-14(5-3-1)16(15-6-8-17-9-7-15)19-12-10-18-11-13-19/h1-9,16,18H,10-13H2
InChIKeyAJWYEGULHTYSBW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.08
Rot. Bonds3

About 1-[phenyl(pyridin-4-yl)methyl]piperazine

1-[phenyl(pyridin-4-yl)methyl]piperazine (PubChem CID 5035634) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[phenyl(pyridin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[phenyl(pyridin-4-yl)methyl]piperazine
PubChem CID5035634
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-[phenyl(pyridin-4-yl)methyl]piperazine
SMILESc1ccc(C(c2ccncc2)N2CCNCC2)cc1
InChIInChI=1S/C16H19N3/c1-2-4-14(5-3-1)16(15-6-8-17-9-7-15)19-12-10-18-11-13-19/h1-9,16,18H,10-13H2
InChIKeyAJWYEGULHTYSBW-UHFFFAOYSA-N
XLogP2.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171286779
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
1-[(3,4-dimethoxyphenyl)-pyridin-4-ylmethyl]piperazine
CID 3874213
1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
CID 118253266
2-[phenyl(piperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 171137903
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]-1,4-diazepane
CID 5113669

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(pyridin-4-yl)methyl]piperazine?
The IUPAC name of 1-[phenyl(pyridin-4-yl)methyl]piperazine (CID 5035634) is 1-[phenyl(pyridin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[phenyl(pyridin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[phenyl(pyridin-4-yl)methyl]piperazine is c1ccc(C(c2ccncc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[phenyl(pyridin-4-yl)methyl]piperazine?
The InChIKey is AJWYEGULHTYSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-4-14(5-3-1)16(15-6-8-17-9-7-15)19-12-10-18-11-13-19/h1-9,16,18H,10-13H2.
What are the key properties of 1-[phenyl(pyridin-4-yl)methyl]piperazine?
1-[phenyl(pyridin-4-yl)methyl]piperazine has a molecular weight of 253.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(pyridin-4-yl)methyl]piperazine is sourced from PubChem (CID 5035634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).