1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

C15H23FN2 — CID 116906804

IUPAC1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-18(2)15(11-14-8-3-4-9-17-14)12-6-5-7-13(16)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3
InChIKeyIJNLWNIQWLQGAP-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds4

About 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine

1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (PubChem CID 116906804) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
PubChem CID116906804
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
SMILESCN(C)C(CC1CCCCN1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-18(2)15(11-14-8-3-4-9-17-14)12-6-5-7-13(16)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3
InChIKeyIJNLWNIQWLQGAP-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
1-(2-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906803
1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-2-pyrrolidin-2-ylethanamine
CID 116906661
N,N-dimethyl-2-piperidin-2-yl-1-(1H-pyrrol-2-yl)ethanamine
CID 116906796
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106632816
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine (CID 116906804) is 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is CN(C)C(CC1CCCCN1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
The InChIKey is IJNLWNIQWLQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(2)15(11-14-8-3-4-9-17-14)12-6-5-7-13(16)10-12/h5-7,10,14-15,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine?
1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116906804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).