1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane

C17H37N — CID 170608342

IUPAC1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC.CC(C)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C13H25N.2C2H6/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyBXABDTXWTIVBFC-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.21
Rot. Bonds3

About 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane

1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane (PubChem CID 170608342) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
PubChem CID170608342
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC.CC(C)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C13H25N.2C2H6/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyBXABDTXWTIVBFC-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
1-(2-cyclobutylethyl)-4-propan-2-ylpiperidine
CID 176983543
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
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
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-(cyclobutylmethyl)azetidine
CID 89347168
1-(1-propan-2-ylazetidin-3-yl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167282451
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane?
The IUPAC name of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane (CID 170608342) is 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane?
The canonical SMILES for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane is CC.CC.CC(C)C1CCN(CC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane?
The InChIKey is BXABDTXWTIVBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.2C2H6/c1-11(2)13-6-8-14(9-7-13)10-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane?
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane has a molecular weight of 255.49 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 170608342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).