4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine

C18H34FN3 — CID 167091285

IUPAC4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCC1CCN(CC2(F)CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34FN3/c1-16-3-11-21(12-4-16)15-18(19)7-13-22(14-8-18)17-5-9-20(2)10-6-17/h16-17H,3-15H2,1-2H3
InChIKeyXCOTYGPDMVMFSK-UHFFFAOYSA-N
MW311.49 g/mol
LogP2.62
Rot. Bonds3

About 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine

4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine (PubChem CID 167091285) has the molecular formula C18H34FN3 and a molecular weight of 311.49 g/mol. Its IUPAC name is 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
PubChem CID167091285
Molecular FormulaC18H34FN3
Molecular Weight311.49 g/mol
Exact Mass311.27
IUPAC Name4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
SMILESCC1CCN(CC2(F)CCN(C3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34FN3/c1-16-3-11-21(12-4-16)15-18(19)7-13-22(14-8-18)17-5-9-20(2)10-6-17/h16-17H,3-15H2,1-2H3
InChIKeyXCOTYGPDMVMFSK-UHFFFAOYSA-N
XLogP2.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]piperidine
CID 69929292
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
4,4-Difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
CID 126708550
1-Tert-butyl-4-(3,5-dimethylpiperidin-1-yl)-3-fluoropiperidine
CID 129258290
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
(3S,4R)-1-tert-butyl-4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-fluoropiperidine
CID 129258483
4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
5-Fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134340085
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
4,4-Difluoro-1-propylpiperidine;4-methyl-1-(4,4,4-trifluorobutan-2-yl)piperidine
CID 144220997
2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine (CID 167091285) is 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine is CC1CCN(CC2(F)CCN(C3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
The InChIKey is XCOTYGPDMVMFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN3/c1-16-3-11-21(12-4-16)15-18(19)7-13-22(14-8-18)17-5-9-20(2)10-6-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine?
4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine has a molecular weight of 311.49 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 167091285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).