1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine

C22H43FN2 — CID 155088184

IUPAC1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CN(C(C)CCC(C)N2CCCC(C)(C(C)C)C2)CC1F
InChIInChI=1S/C22H43FN2/c1-16(2)20-13-25(14-21(20)23)19(6)10-9-18(5)24-12-8-11-22(7,15-24)17(3)4/h16-21H,8-15H2,1-7H3
InChIKeyVUNROVKDNQNKLO-UHFFFAOYSA-N
MW354.60 g/mol
LogP5.23
Rot. Bonds7

About 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine

1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine (PubChem CID 155088184) has the molecular formula C22H43FN2 and a molecular weight of 354.60 g/mol. Its IUPAC name is 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine
PubChem CID155088184
Molecular FormulaC22H43FN2
Molecular Weight354.60 g/mol
Exact Mass354.34
IUPAC Name1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine
SMILESCC(C)C1CN(C(C)CCC(C)N2CCCC(C)(C(C)C)C2)CC1F
InChIInChI=1S/C22H43FN2/c1-16(2)20-13-25(14-21(20)23)19(6)10-9-18(5)24-12-8-11-22(7,15-24)17(3)4/h16-21H,8-15H2,1-7H3
InChIKeyVUNROVKDNQNKLO-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.60
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine?
The IUPAC name of 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine (CID 155088184) is 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine is CC(C)C1CN(C(C)CCC(C)N2CCCC(C)(C(C)C)C2)CC1F.
What is the InChIKey of 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine?
The InChIKey is VUNROVKDNQNKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN2/c1-16(2)20-13-25(14-21(20)23)19(6)10-9-18(5)24-12-8-11-22(7,15-24)17(3)4/h16-21H,8-15H2,1-7H3.
What are the key properties of 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine?
1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine has a molecular weight of 354.60 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)hexan-2-yl]-3-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 155088184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).