1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine

C15H21N3 — CID 63180024

IUPAC1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3/c16-15-5-1-2-12-18(15)14-8-6-13(7-9-14)17-10-3-4-11-17/h6-9,16H,1-5,10-12H2/b16-15+
InChIKeyKVZXNFKZZAJLQJ-FOCLMDBBSA-N
MW243.35 g/mol
LogP3.25
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine

1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine (PubChem CID 63180024) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
PubChem CID63180024
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3/c16-15-5-1-2-12-18(15)14-8-6-13(7-9-14)17-10-3-4-11-17/h6-9,16H,1-5,10-12H2/b16-15+
InChIKeyKVZXNFKZZAJLQJ-FOCLMDBBSA-N
XLogP3.25
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-propylphenyl)pyrrolidin-2-imine
CID 43378673
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-2-imine
CID 54966801
1-(6-bromonaphthalen-2-yl)piperidin-2-imine
CID 81260115
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
1-(5-methyl-3-pyridinyl)piperidin-2-imine
CID 107585793
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
CID 104779800
1-(4-bromo-3-chlorophenyl)pyrrolidin-2-imine
CID 107613345
1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-2-imine
CID 54966703
2-(4-pyrrolidin-1-ylphenyl)ethanimine
CID 162741341
1-(2,6-difluoro-3-methylphenyl)piperidin-2-imine
CID 82820346
1-[4-(1,4-diazepan-1-yl)phenyl]piperidin-2-one
CID 125487296

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine (CID 63180024) is 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The canonical SMILES for 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine is [H]/N=C1\CCCCN1c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine?
The InChIKey is KVZXNFKZZAJLQJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H21N3/c16-15-5-1-2-12-18(15)14-8-6-13(7-9-14)17-10-3-4-11-17/h6-9,16H,1-5,10-12H2/b16-15+.
What are the key properties of 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine?
1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine has a molecular weight of 243.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine is sourced from PubChem (CID 63180024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).