N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C17H27FN2 — CID 79715924

IUPACN-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-13(2)20(12-15-8-10-19-11-9-15)14(3)16-4-6-17(18)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyYEAJEYGHZNQTFQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.60
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79715924) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79715924
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-13(2)20(12-15-8-10-19-11-9-15)14(3)16-4-6-17(18)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyYEAJEYGHZNQTFQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 107520427
1-(4-fluorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707251
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 61029614
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
CID 119929715
N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103465120

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79715924) is N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(CC1CCNCC1)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is YEAJEYGHZNQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)20(12-15-8-10-19-11-9-15)14(3)16-4-6-17(18)7-5-16/h4-7,13-15,19H,8-12H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).