1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine

C21H31N5 — CID 91828668

IUPAC1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
SMILESCn1ccnc1C1CCCN(CCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H31N5/c1-23-11-9-22-21(23)19-6-5-10-25(18-19)13-12-24-14-16-26(17-15-24)20-7-3-2-4-8-20/h2-4,7-9,11,19H,5-6,10,12-18H2,1H3
InChIKeyFPNRIXWDEDGDKC-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.42
Rot. Bonds5

About 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine

1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine (PubChem CID 91828668) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
PubChem CID91828668
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
SMILESCn1ccnc1C1CCCN(CCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C21H31N5/c1-23-11-9-22-21(23)19-6-5-10-25(18-19)13-12-24-14-16-26(17-15-24)20-7-3-2-4-8-20/h2-4,7-9,11,19H,5-6,10,12-18H2,1H3
InChIKeyFPNRIXWDEDGDKC-UHFFFAOYSA-N
XLogP2.42
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
2-cyclopentyl-1-methylimidazole
CID 83382106
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine (CID 91828668) is 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine is Cn1ccnc1C1CCCN(CCN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The InChIKey is FPNRIXWDEDGDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-23-11-9-22-21(23)19-6-5-10-25(18-19)13-12-24-14-16-26(17-15-24)20-7-3-2-4-8-20/h2-4,7-9,11,19H,5-6,10,12-18H2,1H3.
What are the key properties of 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine has a molecular weight of 353.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine is sourced from PubChem (CID 91828668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).