1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine

C19H31N3O — CID 91837664

IUPAC1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
SMILESCOC1CCCN(CCN2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H31N3O/c1-23-19-8-5-9-21(17-19)13-10-20-11-14-22(15-12-20)16-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3
InChIKeyGPUJEENSNAWACF-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.91
Rot. Bonds6

About 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine

1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine (PubChem CID 91837664) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
PubChem CID91837664
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
SMILESCOC1CCCN(CCN2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H31N3O/c1-23-19-8-5-9-21(17-19)13-10-20-11-14-22(15-12-20)16-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3
InChIKeyGPUJEENSNAWACF-UHFFFAOYSA-N
XLogP1.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
1-[2-(4-benzylpiperazin-1-yl)ethyl]piperidine-3-carbonitrile
CID 91837142
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine (CID 91837664) is 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine is COC1CCCN(CCN2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine?
The InChIKey is GPUJEENSNAWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-23-19-8-5-9-21(17-19)13-10-20-11-14-22(15-12-20)16-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3.
What are the key properties of 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine?
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine has a molecular weight of 317.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 91837664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).