1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine

C19H28F2N2O — CID 138009608

IUPAC1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine
SMILESFC(F)CN1CCC(NC2CC(COCc3ccccc3)C2)CC1
InChIInChI=1S/C19H28F2N2O/c20-19(21)12-23-8-6-17(7-9-23)22-18-10-16(11-18)14-24-13-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2
InChIKeyYXAWIBOGEGWZAF-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.30
Rot. Bonds8

About 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine (PubChem CID 138009608) has the molecular formula C19H28F2N2O and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine
PubChem CID138009608
Molecular FormulaC19H28F2N2O
Molecular Weight338.44 g/mol
Exact Mass338.22
IUPAC Name1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine
SMILESFC(F)CN1CCC(NC2CC(COCc3ccccc3)C2)CC1
InChIInChI=1S/C19H28F2N2O/c20-19(21)12-23-8-6-17(7-9-23)22-18-10-16(11-18)14-24-13-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2
InChIKeyYXAWIBOGEGWZAF-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
1-(2-fluorophenyl)-2-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanol
CID 111489054
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
1-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]piperidin-4-amine
CID 138711461
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
2-[[1-(2,2-difluoroethyl)piperidin-4-yl]methoxy]phenol;hydrochloride
CID 165429360
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
dibenzyl (3S,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylate
CID 24998025

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine (CID 138009608) is 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine is FC(F)CN1CCC(NC2CC(COCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine?
The InChIKey is YXAWIBOGEGWZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O/c20-19(21)12-23-8-6-17(7-9-23)22-18-10-16(11-18)14-24-13-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine has a molecular weight of 338.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine is sourced from PubChem (CID 138009608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).