(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

C14H19FN2 — CID 9169081

IUPAC(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)CNC[C@H]2N1CCCCC1
InChIInChI=1S/C14H19FN2/c15-12-4-5-13-11(8-12)9-16-10-14(13)17-6-2-1-3-7-17/h4-5,8,14,16H,1-3,6-7,9-10H2/t14-/m1/s1
InChIKeyJJZLGJMTDIPKML-CQSZACIVSA-N
MW234.32 g/mol
LogP2.46
Rot. Bonds1

About (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline

(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169081) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169081
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccc2c(c1)CNC[C@H]2N1CCCCC1
InChIInChI=1S/C14H19FN2/c15-12-4-5-13-11(8-12)9-16-10-14(13)17-6-2-1-3-7-17/h4-5,8,14,16H,1-3,6-7,9-10H2/t14-/m1/s1
InChIKeyJJZLGJMTDIPKML-CQSZACIVSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169018
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
(4R)-N,N-dimethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170189
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274
(4S)-4-(azepan-1-yl)-N,N-diethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170280
(4R)-N,N-dimethyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170181
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
(8R)-8-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170114
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382

Frequently Asked Questions

What is the IUPAC name of (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 9169081) is (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is Fc1ccc2c(c1)CNC[C@H]2N1CCCCC1.
What is the InChIKey of (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JJZLGJMTDIPKML-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-4-5-13-11(8-12)9-16-10-14(13)17-6-2-1-3-7-17/h4-5,8,14,16H,1-3,6-7,9-10H2/t14-/m1/s1.
What are the key properties of (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline?
(4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 234.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).