(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

C14H21FN2 — CID 106634173

IUPAC(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3/t11-,14?/m0/s1
InChIKeyAVAOEGNVFDLJBL-ZSOXZCCMSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106634173) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106634173
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3/t11-,14?/m0/s1
InChIKeyAVAOEGNVFDLJBL-ZSOXZCCMSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
2-[bis(4-fluorophenyl)methoxymethyl]piperidine
CID 171986478
1-(4-fluorophenyl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107411910
N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106634173) is (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is C[C@H](NCC1CCCCN1)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is AVAOEGNVFDLJBL-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(12-5-7-13(15)8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3/t11-,14?/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).