[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol

C17H22N2O2 — CID 106768736

IUPAC[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
SMILESOCc1cnc(OCCN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-13-14-12-18-17(16-7-3-2-6-15(14)16)21-11-10-19-8-4-1-5-9-19/h2-3,6-7,12,20H,1,4-5,8-11,13H2
InChIKeyQBBCVPYPGJGSBJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.59
Rot. Bonds5

About [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol

[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol (PubChem CID 106768736) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
PubChem CID106768736
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
SMILESOCc1cnc(OCCN2CCCCC2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c20-13-14-12-18-17(16-7-3-2-6-15(14)16)21-11-10-19-8-4-1-5-9-19/h2-3,6-7,12,20H,1,4-5,8-11,13H2
InChIKeyQBBCVPYPGJGSBJ-UHFFFAOYSA-N
XLogP2.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 112613186
[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]methanol
CID 63376244
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol?
The IUPAC name of [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol (CID 106768736) is [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol?
The canonical SMILES for [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol is OCc1cnc(OCCN2CCCCC2)c2ccccc12.
What is the InChIKey of [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol?
The InChIKey is QBBCVPYPGJGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-13-14-12-18-17(16-7-3-2-6-15(14)16)21-11-10-19-8-4-1-5-9-19/h2-3,6-7,12,20H,1,4-5,8-11,13H2.
What are the key properties of [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol?
[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol has a molecular weight of 286.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).