(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine

C14H21FN2 — CID 81364808

IUPAC(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11(13-3-2-4-14(15)9-13)17-10-12-5-7-16-8-6-12/h2-4,9,11-12,16-17H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyKXNKHFVSKRLMNV-NSHDSACASA-N
MW236.33 g/mol
LogP2.48
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 81364808) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID81364808
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@H](NCC1CCNCC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11(13-3-2-4-14(15)9-13)17-10-12-5-7-16-8-6-12/h2-4,9,11-12,16-17H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyKXNKHFVSKRLMNV-NSHDSACASA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
1-(3-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79610680
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 81364808) is (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine is C[C@H](NCC1CCNCC1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is KXNKHFVSKRLMNV-NSHDSACASA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(13-3-2-4-14(15)9-13)17-10-12-5-7-16-8-6-12/h2-4,9,11-12,16-17H,5-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 81364808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).