[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol

C15H17FN2O — CID 121417659

IUPAC[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccc3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O/c16-13-2-1-12-3-6-17-15(14(12)9-13)18-7-4-11(10-19)5-8-18/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyXKVPYFSOSKLPHO-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.58
Rot. Bonds2

About [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol

[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol (PubChem CID 121417659) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
PubChem CID121417659
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccc3ccc(F)cc23)CC1
InChIInChI=1S/C15H17FN2O/c16-13-2-1-12-3-6-17-15(14(12)9-13)18-7-4-11(10-19)5-8-18/h1-3,6,9,11,19H,4-5,7-8,10H2
InChIKeyXKVPYFSOSKLPHO-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
CID 121415476
methyl (Z)-3-[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]prop-2-enoate
CID 121433037
7-fluoro-1-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]isoquinoline
CID 122147451
2-[1-(6-fluoroisoquinolin-1-yl)piperidin-4-yl]ethyl methanesulfonate
CID 21096929
1-[4-(2-aminoethyl)piperidin-1-yl]isoquinolin-7-ol
CID 106540698
ethyl 4-amino-1-(7-fluoroisoquinolin-1-yl)piperidine-3-carboxylate;hydrochloride
CID 121415486
ethyl-[1-(6-fluoroisoquinolin-1-yl)piperidin-4-yl]carbamic acid
CID 174501271
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
[(3S)-1-[1-[4-(2,2-difluoroethyl)piperidin-1-yl]isoquinolin-7-yl]sulfonylpiperidin-3-yl]methanol
CID 167770812
1-(7-fluoroisoquinolin-1-yl)-3-phenylmethoxypiperidin-4-amine
CID 121415479
6-fluoro-4-[2-[[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]amino]ethylamino]chromen-2-one
CID 121415524

Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol (CID 121417659) is [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol is OCC1CCN(c2nccc3ccc(F)cc23)CC1.
What is the InChIKey of [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol?
The InChIKey is XKVPYFSOSKLPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-13-2-1-12-3-6-17-15(14(12)9-13)18-7-4-11(10-19)5-8-18/h1-3,6,9,11,19H,4-5,7-8,10H2.
What are the key properties of [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol?
[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol has a molecular weight of 260.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 121417659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).