1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine

C18H27N3 — CID 15746300

IUPAC1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine
SMILESCN1CCC(C)(C)/C1=N/c1ccccc1N1CCCCC1
InChIInChI=1S/C18H27N3/c1-18(2)11-14-20(3)17(18)19-15-9-5-6-10-16(15)21-12-7-4-8-13-21/h5-6,9-10H,4,7-8,11-14H2,1-3H3/b19-17-
InChIKeyUQKJRZKPDDVLSU-ZPHPHTNESA-N
MW285.43 g/mol
LogP4.07
Rot. Bonds2

About 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine

1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine (PubChem CID 15746300) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine
PubChem CID15746300
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine
SMILESCN1CCC(C)(C)/C1=N/c1ccccc1N1CCCCC1
InChIInChI=1S/C18H27N3/c1-18(2)11-14-20(3)17(18)19-15-9-5-6-10-16(15)21-12-7-4-8-13-21/h5-6,9-10H,4,7-8,11-14H2,1-3H3/b19-17-
InChIKeyUQKJRZKPDDVLSU-ZPHPHTNESA-N
XLogP4.07
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-(2-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 139692559
1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
CID 58884452
methyl N'-(2-piperidin-1-ylphenyl)carbamimidothioate
CID 15746491
1-(2-isothiocyanatophenyl)piperidine
CID 18952131
1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
CID 15746242
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]piperidine
CID 173230809
3-(2-methoxyethyl)-1-methyl-N-(2-morpholin-4-ylphenyl)piperidin-2-imine
CID 15746235

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine (CID 15746300) is 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine is CN1CCC(C)(C)/C1=N/c1ccccc1N1CCCCC1.
What is the InChIKey of 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine?
The InChIKey is UQKJRZKPDDVLSU-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H27N3/c1-18(2)11-14-20(3)17(18)19-15-9-5-6-10-16(15)21-12-7-4-8-13-21/h5-6,9-10H,4,7-8,11-14H2,1-3H3/b19-17-.
What are the key properties of 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine?
1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine has a molecular weight of 285.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(2-piperidin-1-ylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 15746300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).