1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine

C19H29FN2O2S — CID 50848398

IUPAC1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(CC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1
InChIInChI=1S/C19H29FN2O2S/c1-16-5-4-10-21(13-16)14-17-8-11-22(12-9-17)25(23,24)15-18-6-2-3-7-19(18)20/h2-3,6-7,16-17H,4-5,8-15H2,1H3
InChIKeyHWYJZQIZUFYDBY-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.10
Rot. Bonds5

About 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine

1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 50848398) has the molecular formula C19H29FN2O2S and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID50848398
Molecular FormulaC19H29FN2O2S
Molecular Weight368.52 g/mol
Exact Mass368.19
IUPAC Name1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(CC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1
InChIInChI=1S/C19H29FN2O2S/c1-16-5-4-10-21(13-16)14-17-8-11-22(12-9-17)25(23,24)15-18-6-2-3-7-19(18)20/h2-3,6-7,16-17H,4-5,8-15H2,1H3
InChIKeyHWYJZQIZUFYDBY-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine (CID 50848398) is 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine is CC1CCCN(CC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)C1.
What is the InChIKey of 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is HWYJZQIZUFYDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2S/c1-16-5-4-10-21(13-16)14-17-8-11-22(12-9-17)25(23,24)15-18-6-2-3-7-19(18)20/h2-3,6-7,16-17H,4-5,8-15H2,1H3.
What are the key properties of 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine?
1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine has a molecular weight of 368.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 50848398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).