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

C16H28F2N2O — CID 156735219

IUPAC3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C16H28F2N2O/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
InChIKeyXPCSBMUHNVNTGC-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.51
Rot. Bonds5

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

3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine (PubChem CID 156735219) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
PubChem CID156735219
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine
SMILESFC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1
InChIInChI=1S/C16H28F2N2O/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
InChIKeyXPCSBMUHNVNTGC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735218
3-(cyclopropylmethoxymethyl)-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735211
3-[(3,3-difluorocyclobutyl)methoxy]-1-piperidin-4-ylpiperidine
CID 156735222
3-(cyclopropylmethyl)-1-piperidin-4-ylpiperidine
CID 156735020
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
4-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]piperidine
CID 129499449
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
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
1-piperidin-4-yl-1,4-diazepane
CID 53414008
1-(3,3-difluorocyclobutyl)piperazine
CID 126739503

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine (CID 156735219) is 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine is FC1(F)CC(COCC2CCCN(C3CCNCC3)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine?
The InChIKey is XPCSBMUHNVNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/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.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine?
3-[(3,3-difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine has a molecular weight of 302.41 g/mol, XLogP of 2.51, 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 is sourced from PubChem (CID 156735219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).