2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

C16H23NO — CID 82118360

IUPAC2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(CN1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c18-16(12-17-9-3-4-10-17)15-8-7-13-5-1-2-6-14(13)11-15/h7-8,11,16,18H,1-6,9-10,12H2
InChIKeyJHIYUUQZDWEPEV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.69
Rot. Bonds3

About 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol

2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (PubChem CID 82118360) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
PubChem CID82118360
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
SMILESOC(CN1CCCC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO/c18-16(12-17-9-3-4-10-17)15-8-7-13-5-1-2-6-14(13)11-15/h7-8,11,16,18H,1-6,9-10,12H2
InChIKeyJHIYUUQZDWEPEV-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
1-(2,3-dihydro-1H-inden-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82216666
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673267
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216675
2-(4-benzylpiperazin-1-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol;bis((Z)-but-2-enedioic acid)
CID 6446164
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
CID 110221450
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol (CID 82118360) is 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is OC(CN1CCCC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
The InChIKey is JHIYUUQZDWEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(12-17-9-3-4-10-17)15-8-7-13-5-1-2-6-14(13)11-15/h7-8,11,16,18H,1-6,9-10,12H2.
What are the key properties of 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol?
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol has a molecular weight of 245.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 82118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).