N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine

C18H26N2 — CID 10236303

IUPACN,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
SMILESCN(C)Cc1ccc(C#CCCN2CCCCC2)cc1
InChIInChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3
InChIKeyBRNCNUHXAAXCET-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine

N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine (PubChem CID 10236303) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
PubChem CID10236303
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine
SMILESCN(C)Cc1ccc(C#CCCN2CCCCC2)cc1
InChIInChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3
InChIKeyBRNCNUHXAAXCET-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine (CID 10236303) is N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine is CN(C)Cc1ccc(C#CCCN2CCCCC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine?
The InChIKey is BRNCNUHXAAXCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine?
N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine has a molecular weight of 270.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methanamine is sourced from PubChem (CID 10236303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).