3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride

C16H30Cl2F2N2O — CID 156735218

IUPAC3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C16H28F2N2O.2ClH/c17-16(18)8-14(9-16)12-21-11-13-2-1-7-20(10-13)15-3-5-19-6-4-15;;/h13-15,19H,1-12H2;2*1H
InChIKeyRJCSZDUDBCHQJS-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.36
Rot. Bonds5

About 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride

3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride (PubChem CID 156735218) has the molecular formula C16H30Cl2F2N2O and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
PubChem CID156735218
Molecular FormulaC16H30Cl2F2N2O
Molecular Weight375.33 g/mol
Exact Mass374.17
IUPAC Name3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C16H28F2N2O.2ClH/c17-16(18)8-14(9-16)12-21-11-13-2-1-7-20(10-13)15-3-5-19-6-4-15;;/h13-15,19H,1-12H2;2*1H
InChIKeyRJCSZDUDBCHQJS-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735219
3-(cyclopropylmethoxymethyl)-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735211
3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine
CID 156735222
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
3-(cyclopropylmethyl)-1-piperidin-4-ylpiperidine
CID 156735020
benzyl 4-[(3R)-3-(2,2,2-trifluoroethoxymethyl)piperidin-1-yl]piperidine-1-carboxylate;(3R)-1-piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
CID 175765628
4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine
CID 129499449
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957482
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride (CID 156735218) is 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride is Cl.Cl.FC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride?
The InChIKey is RJCSZDUDBCHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O.2ClH/c17-16(18)8-14(9-16)12-21-11-13-2-1-7-20(10-13)15-3-5-19-6-4-15;;/h13-15,19H,1-12H2;2*1H.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride?
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride is sourced from PubChem (CID 156735218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).