N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

C17H27FN2O — CID 43728666

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H27FN2O/c1-12(2)20-9-7-15(8-10-20)19-13(3)16-11-14(18)5-6-17(16)21-4/h5-6,11-13,15,19H,7-10H2,1-4H3
InChIKeyBQBCWKNZVDBOME-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 43728666) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID43728666
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H27FN2O/c1-12(2)20-9-7-15(8-10-20)19-13(3)16-11-14(18)5-6-17(16)21-4/h5-6,11-13,15,19H,7-10H2,1-4H3
InChIKeyBQBCWKNZVDBOME-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
CID 102671616
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
1-cyclopropyl-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]thiourea
CID 75415350

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 43728666) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is COc1ccc(F)cc1C(C)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is BQBCWKNZVDBOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)20-9-7-15(8-10-20)19-13(3)16-11-14(18)5-6-17(16)21-4/h5-6,11-13,15,19H,7-10H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 294.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43728666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).