5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine

C20H21N3 — CID 166275085

IUPAC5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine
SMILESCc1c(-c2cnc(C3CCCNC3)nc2)ccc2ccccc12
InChIInChI=1S/C20H21N3/c1-14-18-7-3-2-5-15(18)8-9-19(14)17-12-22-20(23-13-17)16-6-4-10-21-11-16/h2-3,5,7-9,12-13,16,21H,4,6,10-11H2,1H3
InChIKeyGFVJPOIKNLFNFC-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.07
Rot. Bonds2

About 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine

5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine (PubChem CID 166275085) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine
PubChem CID166275085
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine
SMILESCc1c(-c2cnc(C3CCCNC3)nc2)ccc2ccccc12
InChIInChI=1S/C20H21N3/c1-14-18-7-3-2-5-15(18)8-9-19(14)17-12-22-20(23-13-17)16-6-4-10-21-11-16/h2-3,5,7-9,12-13,16,21H,4,6,10-11H2,1H3
InChIKeyGFVJPOIKNLFNFC-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-3-ylisoquinoline
CID 84782419
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
CID 167885485
5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine?
The IUPAC name of 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine (CID 166275085) is 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine.
What is the SMILES notation for 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine?
The canonical SMILES for 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine is Cc1c(-c2cnc(C3CCCNC3)nc2)ccc2ccccc12.
What is the InChIKey of 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine?
The InChIKey is GFVJPOIKNLFNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-14-18-7-3-2-5-15(18)8-9-19(14)17-12-22-20(23-13-17)16-6-4-10-21-11-16/h2-3,5,7-9,12-13,16,21H,4,6,10-11H2,1H3.
What are the key properties of 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine?
5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine has a molecular weight of 303.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine is sourced from PubChem (CID 166275085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).