1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine

C16H31FN2O — CID 156707432

IUPAC1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine
SMILESCCCCN1CCC(CN2CCC(OC)C(F)C2)CC1
InChIInChI=1S/C16H31FN2O/c1-3-4-8-18-9-5-14(6-10-18)12-19-11-7-16(20-2)15(17)13-19/h14-16H,3-13H2,1-2H3
InChIKeyMNQXPRPTDANMRW-UHFFFAOYSA-N
MW286.43 g/mol
LogP2.56
Rot. Bonds6

About 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine

1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine (PubChem CID 156707432) has the molecular formula C16H31FN2O and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine
PubChem CID156707432
Molecular FormulaC16H31FN2O
Molecular Weight286.43 g/mol
Exact Mass286.24
IUPAC Name1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine
SMILESCCCCN1CCC(CN2CCC(OC)C(F)C2)CC1
InChIInChI=1S/C16H31FN2O/c1-3-4-8-18-9-5-14(6-10-18)12-19-11-7-16(20-2)15(17)13-19/h14-16H,3-13H2,1-2H3
InChIKeyMNQXPRPTDANMRW-UHFFFAOYSA-N
XLogP2.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-4-methyl-1-(3-propan-2-yloxypropyl)piperidine
CID 139447065
1-Methyl-4-(2-methylpropoxy)piperidine;1-methyl-4-(trifluoromethyl)piperidine
CID 143876430
1-(Fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
CID 155582614
3-Fluoro-1-(2-methylpropyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187208
3-Fluoro-1-(3-methylbutyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187209
3-Fluoro-4-methoxy-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
CID 156187214
1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
4-(1-Ethylpiperidin-4-yl)oxy-3-fluoro-1-(2-methylpropyl)piperidine
CID 156187620
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
1-Ethyl-3-fluoro-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187674
4-Fluoro-4-[[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]methyl]-1-methylpiperidine
CID 156242327
1-[4-[2-(3-Fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine?
The IUPAC name of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine (CID 156707432) is 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine.
What is the SMILES notation for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine?
The canonical SMILES for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine is CCCCN1CCC(CN2CCC(OC)C(F)C2)CC1.
What is the InChIKey of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine?
The InChIKey is MNQXPRPTDANMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O/c1-3-4-8-18-9-5-14(6-10-18)12-19-11-7-16(20-2)15(17)13-19/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine?
1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine has a molecular weight of 286.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butylpiperidin-4-yl)methyl]-3-fluoro-4-methoxypiperidine is sourced from PubChem (CID 156707432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).