1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

C17H25N3 — CID 796541

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESC1=CC[C@H](CN2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-16(6-3-1)14-19-9-11-20(12-10-19)15-17-7-4-8-18-13-17/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/t16-/m0/s1
InChIKeyXBKREKZBXQZROW-INIZCTEOSA-N
MW271.41 g/mol
LogP2.56
Rot. Bonds4

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 796541) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID796541
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESC1=CC[C@H](CN2CCN(Cc3cccnc3)CC2)CC1
InChIInChI=1S/C17H25N3/c1-2-5-16(6-3-1)14-19-9-11-20(12-10-19)15-17-7-4-8-18-13-17/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/t16-/m0/s1
InChIKeyXBKREKZBXQZROW-INIZCTEOSA-N
XLogP2.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 2901953
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17369214
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 741023
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112
1-[(2-bromophenyl)methyl]-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
CID 877952
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 764541
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 796541) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is C1=CC[C@H](CN2CCN(Cc3cccnc3)CC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is XBKREKZBXQZROW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-5-16(6-3-1)14-19-9-11-20(12-10-19)15-17-7-4-8-18-13-17/h1-2,4,7-8,13,16H,3,5-6,9-12,14-15H2/t16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 271.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 796541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).