N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine

C14H21FN2O — CID 115118227

IUPACN-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc(CCNC2CCCNC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-18-14-5-4-11(9-13(14)15)6-8-17-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyUJRCBSJGRWMMBC-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine (PubChem CID 115118227) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
PubChem CID115118227
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCOc1ccc(CCNC2CCCNC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-18-14-5-4-11(9-13(14)15)6-8-17-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3
InChIKeyUJRCBSJGRWMMBC-UHFFFAOYSA-N
XLogP1.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 66247179
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237709
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine (CID 115118227) is N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine is COc1ccc(CCNC2CCCNC2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine?
The InChIKey is UJRCBSJGRWMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14-5-4-11(9-13(14)15)6-8-17-12-3-2-7-16-10-12/h4-5,9,12,16-17H,2-3,6-8,10H2,1H3.
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine?
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 115118227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).