1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine

C20H32N2 — CID 2910705

IUPAC1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
SMILESCCc1ccc(CN2CCC(N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-3-18-6-8-19(9-7-18)16-21-13-10-20(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,20H,3-5,10-16H2,1-2H3
InChIKeyMPYLBXSXBZIWMR-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.95
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine

1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine (PubChem CID 2910705) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
PubChem CID2910705
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
SMILESCCc1ccc(CN2CCC(N3CCCC(C)C3)CC2)cc1
InChIInChI=1S/C20H32N2/c1-3-18-6-8-19(9-7-18)16-21-13-10-20(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,20H,3-5,10-16H2,1-2H3
InChIKeyMPYLBXSXBZIWMR-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
bis(1-[(4-ethylphenyl)methyl]-4-(4-methylcyclohexyl)piperazine);oxalic acid
CID 134264054
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
1-[(4-ethylphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 5138395
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine (CID 2910705) is 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine is CCc1ccc(CN2CCC(N3CCCC(C)C3)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine?
The InChIKey is MPYLBXSXBZIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-3-18-6-8-19(9-7-18)16-21-13-10-20(11-14-21)22-12-4-5-17(2)15-22/h6-9,17,20H,3-5,10-16H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine?
1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine has a molecular weight of 300.49 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine is sourced from PubChem (CID 2910705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).