3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

C16H23ClF2N2 — CID 120849667

IUPAC3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(F)c1C1CCN(CC2CCCNC2)C1
InChIInChI=1S/C16H22F2N2.ClH/c17-14-4-1-5-15(18)16(14)13-6-8-20(11-13)10-12-3-2-7-19-9-12;/h1,4-5,12-13,19H,2-3,6-11H2;1H
InChIKeyZQKYJFZZDCHVGF-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.18
Rot. Bonds3

About 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 120849667) has the molecular formula C16H23ClF2N2 and a molecular weight of 316.82 g/mol. Its IUPAC name is 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID120849667
Molecular FormulaC16H23ClF2N2
Molecular Weight316.82 g/mol
Exact Mass316.15
IUPAC Name3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(F)c1C1CCN(CC2CCCNC2)C1
InChIInChI=1S/C16H22F2N2.ClH/c17-14-4-1-5-15(18)16(14)13-6-8-20(11-13)10-12-3-2-7-19-9-12;/h1,4-5,12-13,19H,2-3,6-11H2;1H
InChIKeyZQKYJFZZDCHVGF-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-difluorophenyl)-1-(piperidin-4-ylmethyl)piperidine
CID 120851603
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 120849820
5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 127007478
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 120849667) is 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is Cl.Fc1cccc(F)c1C1CCN(CC2CCCNC2)C1.
What is the InChIKey of 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is ZQKYJFZZDCHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2.ClH/c17-14-4-1-5-15(18)16(14)13-6-8-20(11-13)10-12-3-2-7-19-9-12;/h1,4-5,12-13,19H,2-3,6-11H2;1H.
What are the key properties of 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 316.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,6-difluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 120849667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).