1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine

C26H50N2 — CID 171081525

IUPAC1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine
SMILESCCC(CC)CC1CCN(CC2CC(CN3CCC(C(C)CC)CC3)C2)CC1
InChIInChI=1S/C26H50N2/c1-5-21(4)26-10-14-28(15-11-26)20-25-17-24(18-25)19-27-12-8-23(9-13-27)16-22(6-2)7-3/h21-26H,5-20H2,1-4H3
InChIKeyUCRDQJYOOCOOMQ-UHFFFAOYSA-N
MW390.70 g/mol
LogP6.31
Rot. Bonds10

About 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine

1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine (PubChem CID 171081525) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine.

Molecular Properties

Compound Name1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine
PubChem CID171081525
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine
SMILESCCC(CC)CC1CCN(CC2CC(CN3CCC(C(C)CC)CC3)C2)CC1
InChIInChI=1S/C26H50N2/c1-5-21(4)26-10-14-28(15-11-26)20-25-17-24(18-25)19-27-12-8-23(9-13-27)16-22(6-2)7-3/h21-26H,5-20H2,1-4H3
InChIKeyUCRDQJYOOCOOMQ-UHFFFAOYSA-N
XLogP6.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine with MolForge

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Related Compounds

1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
CID 71268081
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
CID 170613244
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
4-butan-2-yl-1-hydroxypiperidine
CID 59870205
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine?
The IUPAC name of 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine (CID 171081525) is 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine.
What is the SMILES notation for 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine?
The canonical SMILES for 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine is CCC(CC)CC1CCN(CC2CC(CN3CCC(C(C)CC)CC3)C2)CC1.
What is the InChIKey of 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine?
The InChIKey is UCRDQJYOOCOOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2/c1-5-21(4)26-10-14-28(15-11-26)20-25-17-24(18-25)19-27-12-8-23(9-13-27)16-22(6-2)7-3/h21-26H,5-20H2,1-4H3.
What are the key properties of 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine?
1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine has a molecular weight of 390.70 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine is sourced from PubChem (CID 171081525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).