2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

C16H21NO — CID 20830

IUPAC2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCCCC1
InChIInChI=1S/C16H21NO/c18-16-14(12-17-10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2
InChIKeyUYBXDDGLSMPWAN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.92
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 20830) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID20830
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CN1CCCCC1
InChIInChI=1S/C16H21NO/c18-16-14(12-17-10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2
InChIKeyUYBXDDGLSMPWAN-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 20830) is 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UYBXDDGLSMPWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-16-14(12-17-10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 243.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 20830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).