1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine

C30H42N6 — CID 165401096

IUPAC1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine
SMILESc1cc(/N=C(\N2CCCCC2)N2CCCC2)c2c(/N=C(\N3CCCCC3)N3CCCC3)cccc2c1
InChIInChI=1S/C30H42N6/c1-3-17-33(18-4-1)29(35-21-7-8-22-35)31-26-15-11-13-25-14-12-16-27(28(25)26)32-30(36-23-9-10-24-36)34-19-5-2-6-20-34/h11-16H,1-10,17-24H2/b31-29+,32-30+
InChIKeyPGUZSVQHXIRMRG-JWTBXLROSA-N
MW486.71 g/mol
LogP5.98
Rot. Bonds2

About 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine

1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine (PubChem CID 165401096) has the molecular formula C30H42N6 and a molecular weight of 486.71 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine
PubChem CID165401096
Molecular FormulaC30H42N6
Molecular Weight486.71 g/mol
Exact Mass486.35
IUPAC Name1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine
SMILESc1cc(/N=C(\N2CCCCC2)N2CCCC2)c2c(/N=C(\N3CCCCC3)N3CCCC3)cccc2c1
InChIInChI=1S/C30H42N6/c1-3-17-33(18-4-1)29(35-21-7-8-22-35)31-26-15-11-13-25-14-12-16-27(28(25)26)32-30(36-23-9-10-24-36)34-19-5-2-6-20-34/h11-16H,1-10,17-24H2/b31-29+,32-30+
InChIKeyPGUZSVQHXIRMRG-JWTBXLROSA-N
XLogP5.98
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.71
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(8-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 660137
[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]-[8-[[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]diazenyl]naphthalen-1-yl]diazene
CID 102140289
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
CID 19599228
N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine
CID 118868161
N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine
CID 170562428
N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
CID 13258794
1-(azepan-1-yl)-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)ethanone
CID 3407406
1-piperidin-1-ylisoquinolin-8-ol
CID 136699648
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
N'-(2-naphthalen-1-ylethyl)piperidine-1-carboximidamide
CID 111060631

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine (CID 165401096) is 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine is c1cc(/N=C(\N2CCCCC2)N2CCCC2)c2c(/N=C(\N3CCCCC3)N3CCCC3)cccc2c1.
What is the InChIKey of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The InChIKey is PGUZSVQHXIRMRG-JWTBXLROSA-N. The full InChI is InChI=1S/C30H42N6/c1-3-17-33(18-4-1)29(35-21-7-8-22-35)31-26-15-11-13-25-14-12-16-27(28(25)26)32-30(36-23-9-10-24-36)34-19-5-2-6-20-34/h11-16H,1-10,17-24H2/b31-29+,32-30+.
What are the key properties of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine has a molecular weight of 486.71 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 165401096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).