1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine

C20H21N3 — CID 146025672

IUPAC1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
SMILESc1cncc(N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C20H21N3/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-11-13-23(14-12-22)19-8-4-10-21-15-19/h1-10,15H,11-14,16H2
InChIKeyMHSKUCNSLRPDCE-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.56
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine

1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine (PubChem CID 146025672) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
PubChem CID146025672
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
SMILESc1cncc(N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C20H21N3/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-11-13-23(14-12-22)19-8-4-10-21-15-19/h1-10,15H,11-14,16H2
InChIKeyMHSKUCNSLRPDCE-UHFFFAOYSA-N
XLogP3.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
CID 761617
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(naphthalen-1-ylmethyl)piperazine
CID 90507603
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
2-[(1S,2S)-2-hydroxycyclohexyl]-5-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzo[e]isoindol-3-one
CID 71468337
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine (CID 146025672) is 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine is c1cncc(N2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine?
The InChIKey is MHSKUCNSLRPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-9-20-17(5-1)6-3-7-18(20)16-22-11-13-23(14-12-22)19-8-4-10-21-15-19/h1-10,15H,11-14,16H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine?
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine has a molecular weight of 303.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 146025672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).