1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine

C20H27N3O — CID 125118230

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
SMILESCOc1ccc2cc(CN3CCN([C@H]4CCNC4)CC3)ccc2c1
InChIInChI=1S/C20H27N3O/c1-24-20-5-4-17-12-16(2-3-18(17)13-20)15-22-8-10-23(11-9-22)19-6-7-21-14-19/h2-5,12-13,19,21H,6-11,14-15H2,1H3/t19-/m0/s1
InChIKeyWLRRCMWQAYTZEU-IBGZPJMESA-N
MW325.46 g/mol
LogP2.33
Rot. Bonds4

About 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine

1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine (PubChem CID 125118230) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
PubChem CID125118230
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
SMILESCOc1ccc2cc(CN3CCN([C@H]4CCNC4)CC3)ccc2c1
InChIInChI=1S/C20H27N3O/c1-24-20-5-4-17-12-16(2-3-18(17)13-20)15-22-8-10-23(11-9-22)19-6-7-21-14-19/h2-5,12-13,19,21H,6-11,14-15H2,1H3/t19-/m0/s1
InChIKeyWLRRCMWQAYTZEU-IBGZPJMESA-N
XLogP2.33
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane
CID 166800105
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
N,N-dimethyl-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]pyridin-2-amine;dihydrochloride
CID 154901165
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
1-[(4-methoxyphenyl)methyl]-4-(3-methylcyclopentyl)-1,4-diazepane
CID 75397616
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
CID 116825348

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine (CID 125118230) is 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine is COc1ccc2cc(CN3CCN([C@H]4CCNC4)CC3)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine?
The InChIKey is WLRRCMWQAYTZEU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c1-24-20-5-4-17-12-16(2-3-18(17)13-20)15-22-8-10-23(11-9-22)19-6-7-21-14-19/h2-5,12-13,19,21H,6-11,14-15H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine?
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine has a molecular weight of 325.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 125118230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).