2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol

C16H19NO — CID 174438456

IUPAC2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
SMILESOc1c(CCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C16H19NO/c18-16-14(9-12-17-10-3-4-11-17)8-7-13-5-1-2-6-15(13)16/h1-2,5-8,18H,3-4,9-12H2
InChIKeyWSJUOPRYIKHBJO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol

2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol (PubChem CID 174438456) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
PubChem CID174438456
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
SMILESOc1c(CCN2CCCC2)ccc2ccccc12
InChIInChI=1S/C16H19NO/c18-16-14(9-12-17-10-3-4-11-17)8-7-13-5-1-2-6-15(13)16/h1-2,5-8,18H,3-4,9-12H2
InChIKeyWSJUOPRYIKHBJO-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)naphthalen-1-ol
CID 15617933
2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
CID 21127072
3-methyl-2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]butanamide
CID 21117750
2-(cyclohexylmethyl)naphthalen-1-ol
CID 15617835
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
2-undecylnaphthalen-1-ol
CID 139729579
1-[2-(2-propylnaphthalen-1-yl)oxyethyl]piperidine chloride
CID 21228753
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
CID 21127043
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
1-[(2R)-2-ethyl-1,4-oxazepan-4-yl]-3-(1-hydroxynaphthalen-2-yl)propan-1-one
CID 125144462

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol?
The IUPAC name of 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol (CID 174438456) is 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol is Oc1c(CCN2CCCC2)ccc2ccccc12.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol?
The InChIKey is WSJUOPRYIKHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16-14(9-12-17-10-3-4-11-17)8-7-13-5-1-2-6-15(13)16/h1-2,5-8,18H,3-4,9-12H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol?
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol is sourced from PubChem (CID 174438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).