1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol

C17H25NO — CID 111113908

IUPAC1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H25NO/c1-13(19)14-9-11-18(12-10-14)17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17,19H,4,6,8-12H2,1H3
InChIKeyJRDNQKAGHUAABU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.16
Rot. Bonds2

About 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol

1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol (PubChem CID 111113908) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
PubChem CID111113908
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H25NO/c1-13(19)14-9-11-18(12-10-14)17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17,19H,4,6,8-12H2,1H3
InChIKeyJRDNQKAGHUAABU-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316210
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62522961
N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol (CID 111113908) is 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(C2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol?
The InChIKey is JRDNQKAGHUAABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(19)14-9-11-18(12-10-14)17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17,19H,4,6,8-12H2,1H3.
What are the key properties of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol?
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol has a molecular weight of 259.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 111113908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).