3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine

C17H33FN2O — CID 165116637

IUPAC3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1
InChIInChI=1S/C17H33FN2O/c1-4-8-19-9-5-15(6-10-19)12-20-11-7-17(16(18)13-20)21-14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyCBIRENBQUJDFBN-UHFFFAOYSA-N
MW300.46 g/mol
LogP2.95
Rot. Bonds6

About 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine

3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine (PubChem CID 165116637) has the molecular formula C17H33FN2O and a molecular weight of 300.46 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
PubChem CID165116637
Molecular FormulaC17H33FN2O
Molecular Weight300.46 g/mol
Exact Mass300.26
IUPAC Name3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
SMILESCCCN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1
InChIInChI=1S/C17H33FN2O/c1-4-8-19-9-5-15(6-10-19)12-20-11-7-17(16(18)13-20)21-14(2)3/h14-17H,4-13H2,1-3H3
InChIKeyCBIRENBQUJDFBN-UHFFFAOYSA-N
XLogP2.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine;4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 54393529
2-[1-(4,4-Difluoropiperidin-1-yl)-2-methylpropan-2-yl]-4-(2-methylpropyl)morpholine
CID 130368442
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
4-Ethoxy-1,4-dimethylpiperidine;4-ethyl-4-methoxy-1-methylpiperidine;1-methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 143876529
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine (CID 165116637) is 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine is CCCN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1.
What is the InChIKey of 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
The InChIKey is CBIRENBQUJDFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2O/c1-4-8-19-9-5-15(6-10-19)12-20-11-7-17(16(18)13-20)21-14(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine?
3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine has a molecular weight of 300.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 165116637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).