1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine

C17H25N3 — CID 117206009

IUPAC1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
SMILESC1=C(CN2CCNCC2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-16(6-3-1)13-20-10-4-7-17(15-20)14-19-11-8-18-9-12-19/h1-3,5-7,18H,4,8-15H2
InChIKeyBWFKYVTYJGDMJR-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.72
Rot. Bonds4

About 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine

1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine (PubChem CID 117206009) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
PubChem CID117206009
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
SMILESC1=C(CN2CCNCC2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-16(6-3-1)13-20-10-4-7-17(15-20)14-19-11-8-18-9-12-19/h1-3,5-7,18H,4,8-15H2
InChIKeyBWFKYVTYJGDMJR-UHFFFAOYSA-N
XLogP1.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1-benzylpiperazine
CID 174866973
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-benzylimidazolidine;hydrochloride
CID 141144988
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-benzyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 15069690
1-benzylpiperidin-4-amine;piperazine
CID 68641719
cadmium(2+);1,8-dibenzyl-1,4,8,11-tetrazacyclotetradecane;methanol;dinitrate
CID 139155101
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine?
The IUPAC name of 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine (CID 117206009) is 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine is C1=C(CN2CCNCC2)CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine?
The InChIKey is BWFKYVTYJGDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-5-16(6-3-1)13-20-10-4-7-17(15-20)14-19-11-8-18-9-12-19/h1-3,5-7,18H,4,8-15H2.
What are the key properties of 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine?
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine has a molecular weight of 271.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine is sourced from PubChem (CID 117206009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).