N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine

C17H26F2N2 — CID 106632139

IUPACN-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)CC(F)(F)c1ccccc1
InChIInChI=1S/C17H26F2N2/c1-14(2)21(12-16-10-6-7-11-20-16)13-17(18,19)15-8-4-3-5-9-15/h3-5,8-9,14,16,20H,6-7,10-13H2,1-2H3
InChIKeyMBQWZUNQYVHTKF-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.63
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine

N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106632139) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106632139
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCN1)CC(F)(F)c1ccccc1
InChIInChI=1S/C17H26F2N2/c1-14(2)21(12-16-10-6-7-11-20-16)13-17(18,19)15-8-4-3-5-9-15/h3-5,8-9,14,16,20H,6-7,10-13H2,1-2H3
InChIKeyMBQWZUNQYVHTKF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599905
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567
N-[[2-(difluoromethoxy)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603048
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
3-phenoxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614336

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106632139) is N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(CC1CCCCN1)CC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is MBQWZUNQYVHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-14(2)21(12-16-10-6-7-11-20-16)13-17(18,19)15-8-4-3-5-9-15/h3-5,8-9,14,16,20H,6-7,10-13H2,1-2H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine?
N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 296.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106632139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).