formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol

C18H25N3O5 — CID 154914907

IUPACformic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol
SMILESO=CO.O=CO.OCCN1CCC(Nc2nccc3ccccc23)CC1
InChIInChI=1S/C16H21N3O.2CH2O2/c20-12-11-19-9-6-14(7-10-19)18-16-15-4-2-1-3-13(15)5-8-17-16;2*2-1-3/h1-5,8,14,20H,6-7,9-12H2,(H,17,18);2*1H,(H,2,3)
InChIKeyMGXWHCPCDQBEKJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.50
Rot. Bonds4

About formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol

formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol (PubChem CID 154914907) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol.

Molecular Properties

Compound Nameformic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol
PubChem CID154914907
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameformic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol
SMILESO=CO.O=CO.OCCN1CCC(Nc2nccc3ccccc23)CC1
InChIInChI=1S/C16H21N3O.2CH2O2/c20-12-11-19-9-6-14(7-10-19)18-16-15-4-2-1-3-13(15)5-8-17-16;2*2-1-3/h1-5,8,14,20H,6-7,9-12H2,(H,17,18);2*1H,(H,2,3)
InChIKeyMGXWHCPCDQBEKJ-UHFFFAOYSA-N
XLogP1.50
TPSA122.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401908
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-isoquinolin-1-ylmethanone
CID 122336718
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
2-[4-[[(3-fluoro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 131891058
2-[4-[(4-methylisoquinolin-5-yl)amino]piperidin-1-yl]ethanol
CID 10039589
3-[4-(pyridin-2-ylamino)piperidin-1-yl]propanoic acid
CID 134069519
formic acid;1-methylisoquinoline
CID 175196109
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol?
The IUPAC name of formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol (CID 154914907) is formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol.
What is the SMILES notation for formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol?
The canonical SMILES for formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol is O=CO.O=CO.OCCN1CCC(Nc2nccc3ccccc23)CC1.
What is the InChIKey of formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol?
The InChIKey is MGXWHCPCDQBEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.2CH2O2/c20-12-11-19-9-6-14(7-10-19)18-16-15-4-2-1-3-13(15)5-8-17-16;2*2-1-3/h1-5,8,14,20H,6-7,9-12H2,(H,17,18);2*1H,(H,2,3).
What are the key properties of formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol?
formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol has a molecular weight of 363.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(isoquinolin-1-ylamino)piperidin-1-yl]ethanol is sourced from PubChem (CID 154914907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).