N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine

C17H27FN2 — CID 106623204

IUPACN-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-12-20(13-15-8-6-7-11-19-15)14(2)16-9-4-5-10-17(16)18/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3
InChIKeyLAQJBQPRTPBDAB-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine

N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106623204) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106623204
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCN1)C(C)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-3-12-20(13-15-8-6-7-11-19-15)14(2)16-9-4-5-10-17(16)18/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3
InChIKeyLAQJBQPRTPBDAB-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
4-methyl-2-[1-[piperidin-2-ylmethyl(propyl)amino]ethyl]phenol
CID 106623363
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
N-[1-(5-methylthiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623202
1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-[1-(5-bromothiophen-2-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623215

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106623204) is N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(CC1CCCCN1)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is LAQJBQPRTPBDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-12-20(13-15-8-6-7-11-19-15)14(2)16-9-4-5-10-17(16)18/h4-5,9-10,14-15,19H,3,6-8,11-13H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106623204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).