N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine

C17H26F2N2 — CID 116789672

IUPACN-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C17H26F2N2/c1-14(2)20-11-15-7-6-10-21(12-15)13-17(18,19)16-8-4-3-5-9-16/h3-5,8-9,14-15,20H,6-7,10-13H2,1-2H3
InChIKeyKGEFBVFLVHILMP-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.49
Rot. Bonds6

About N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 116789672) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID116789672
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(CC(F)(F)c2ccccc2)C1
InChIInChI=1S/C17H26F2N2/c1-14(2)20-11-15-7-6-10-21(12-15)13-17(18,19)16-8-4-3-5-9-16/h3-5,8-9,14-15,20H,6-7,10-13H2,1-2H3
InChIKeyKGEFBVFLVHILMP-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-phenylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240509
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
1-(2,2-difluoro-2-phenylethyl)-3-pyrrolidin-2-ylpiperidine
CID 116790034
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine (CID 116789672) is N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(CC(F)(F)c2ccccc2)C1.
What is the InChIKey of N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is KGEFBVFLVHILMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-14(2)20-11-15-7-6-10-21(12-15)13-17(18,19)16-8-4-3-5-9-16/h3-5,8-9,14-15,20H,6-7,10-13H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 296.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 116789672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).