N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

C15H22F2N2 — CID 106624705

IUPACN-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(F)c1F)CC1CCCNC1
InChIInChI=1S/C15H22F2N2/c1-2-19(10-12-5-4-8-18-9-12)11-13-6-3-7-14(16)15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3
InChIKeyPPFXOUNYXMKYPO-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624705) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624705
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(F)c1F)CC1CCCNC1
InChIInChI=1S/C15H22F2N2/c1-2-19(10-12-5-4-8-18-9-12)11-13-6-3-7-14(16)15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3
InChIKeyPPFXOUNYXMKYPO-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2,3-difluorophenyl)methyl]-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 30852616
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106624705) is N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCN(Cc1cccc(F)c1F)CC1CCCNC1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is PPFXOUNYXMKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-19(10-12-5-4-8-18-9-12)11-13-6-3-7-14(16)15(13)17/h3,6-7,12,18H,2,4-5,8-11H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).