4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane

C24H49N3 — CID 170613244

IUPAC4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
SMILESCC.CCC(C)C1CCN(C2CCN(CC3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C22H43N3.C2H6/c1-4-19(3)21-8-16-25(17-9-21)22-10-14-24(15-11-22)18-20-6-12-23(5-2)13-7-20;1-2/h19-22H,4-18H2,1-3H3;1-2H3
InChIKeyAQJITNLEWBZFJH-UHFFFAOYSA-N
MW379.68 g/mol
LogP4.97
Rot. Bonds6

About 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane

4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane (PubChem CID 170613244) has the molecular formula C24H49N3 and a molecular weight of 379.68 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
PubChem CID170613244
Molecular FormulaC24H49N3
Molecular Weight379.68 g/mol
Exact Mass379.39
IUPAC Name4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
SMILESCC.CCC(C)C1CCN(C2CCN(CC3CCN(CC)CC3)CC2)CC1
InChIInChI=1S/C22H43N3.C2H6/c1-4-19(3)21-8-16-25(17-9-21)22-10-14-24(15-11-22)18-20-6-12-23(5-2)13-7-20;1-2/h19-22H,4-18H2,1-3H3;1-2H3
InChIKeyAQJITNLEWBZFJH-UHFFFAOYSA-N
XLogP4.97
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane with MolForge

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Related Compounds

ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-(4-butan-2-ylcyclohexyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170953915
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1-[[3-[(4-butan-2-ylpiperidin-1-yl)methyl]cyclobutyl]methyl]-4-(2-ethylbutyl)piperidine
CID 171081525
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane?
The IUPAC name of 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane (CID 170613244) is 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane.
What is the SMILES notation for 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane?
The canonical SMILES for 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane is CC.CCC(C)C1CCN(C2CCN(CC3CCN(CC)CC3)CC2)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane?
The InChIKey is AQJITNLEWBZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3.C2H6/c1-4-19(3)21-8-16-25(17-9-21)22-10-14-24(15-11-22)18-20-6-12-23(5-2)13-7-20;1-2/h19-22H,4-18H2,1-3H3;1-2H3.
What are the key properties of 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane?
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane has a molecular weight of 379.68 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane is sourced from PubChem (CID 170613244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).