[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol

C15H20N2O — CID 139684726

IUPAC[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol
SMILESOCN1CCN(C2=CCCc3ccccc32)CC1
InChIInChI=1S/C15H20N2O/c18-12-16-8-10-17(11-9-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6-7,18H,3,5,8-12H2
InChIKeyCJGFVRJJNYMEKK-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds2

About [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol

[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol (PubChem CID 139684726) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol
PubChem CID139684726
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol
SMILESOCN1CCN(C2=CCCc3ccccc32)CC1
InChIInChI=1S/C15H20N2O/c18-12-16-8-10-17(11-9-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6-7,18H,3,5,8-12H2
InChIKeyCJGFVRJJNYMEKK-UHFFFAOYSA-N
XLogP1.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol?
The IUPAC name of [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol (CID 139684726) is [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol.
What is the SMILES notation for [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol?
The canonical SMILES for [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol is OCN1CCN(C2=CCCc3ccccc32)CC1.
What is the InChIKey of [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol?
The InChIKey is CJGFVRJJNYMEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-12-16-8-10-17(11-9-16)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6-7,18H,3,5,8-12H2.
What are the key properties of [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol?
[4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydronaphthalen-1-yl)piperazin-1-yl]methanol is sourced from PubChem (CID 139684726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).