1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine

C35H69F7N4 — CID 143051197

IUPAC1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1.CCC(C)N1CCC(C)CC1.CCCN(CC)C(C)CF.CCN1CCC(C)CC1
InChIInChI=1S/C10H21N.C9H13F6N.C8H18FN.C8H17N/c1-4-10(3)11-7-5-9(2)6-8-11;1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15;1-4-6-10(5-2)8(3)7-9;1-3-9-6-4-8(2)5-7-9/h9-10H,4-8H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyCLUPDHBMVZZBNU-UHFFFAOYSA-N
MW678.95 g/mol
LogP9.54
Rot. Bonds9

About 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine

1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine (PubChem CID 143051197) has the molecular formula C35H69F7N4 and a molecular weight of 678.95 g/mol. Its IUPAC name is 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
PubChem CID143051197
Molecular FormulaC35H69F7N4
Molecular Weight678.95 g/mol
Exact Mass678.54
IUPAC Name1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1.CCC(C)N1CCC(C)CC1.CCCN(CC)C(C)CF.CCN1CCC(C)CC1
InChIInChI=1S/C10H21N.C9H13F6N.C8H18FN.C8H17N/c1-4-10(3)11-7-5-9(2)6-8-11;1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15;1-4-6-10(5-2)8(3)7-9;1-3-9-6-4-8(2)5-7-9/h9-10H,4-8H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyCLUPDHBMVZZBNU-UHFFFAOYSA-N
XLogP9.54
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.95
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The IUPAC name of 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine (CID 143051197) is 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine.
What is the SMILES notation for 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The canonical SMILES for 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine is CC1CCN(C(C(F)(F)F)C(F)(F)F)CC1.CCC(C)N1CCC(C)CC1.CCCN(CC)C(C)CF.CCN1CCC(C)CC1.
What is the InChIKey of 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The InChIKey is CLUPDHBMVZZBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H13F6N.C8H18FN.C8H17N/c1-4-10(3)11-7-5-9(2)6-8-11;1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15;1-4-6-10(5-2)8(3)7-9;1-3-9-6-4-8(2)5-7-9/h9-10H,4-8H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine has a molecular weight of 678.95 g/mol, XLogP of 9.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 143051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).