N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine

C17H27FN2 — CID 63853944

IUPACN-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H27FN2/c1-3-10-19-14(2)15-8-6-11-20(12-15)13-16-7-4-5-9-17(16)18/h4-5,7,9,14-15,19H,3,6,8,10-13H2,1-2H3
InChIKeyFDYWDJQKNWQIOQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.43
Rot. Bonds6

About N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63853944) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine
PubChem CID63853944
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H27FN2/c1-3-10-19-14(2)15-8-6-11-20(12-15)13-16-7-4-5-9-17(16)18/h4-5,7,9,14-15,19H,3,6,8,10-13H2,1-2H3
InChIKeyFDYWDJQKNWQIOQ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-[1-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63854116
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine (CID 63853944) is N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is FDYWDJQKNWQIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-10-19-14(2)15-8-6-11-20(12-15)13-16-7-4-5-9-17(16)18/h4-5,7,9,14-15,19H,3,6,8,10-13H2,1-2H3.
What are the key properties of N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63853944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).