N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

C17H28N2 — CID 55178372

IUPACN,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2ccccc2C)CCNCC1
InChIInChI=1S/C17H28N2/c1-4-9-17(10-12-18-13-11-17)14-19(3)16-8-6-5-7-15(16)2/h5-8,18H,4,9-14H2,1-3H3
InChIKeyKJSWWDCUSGVYAC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

About N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (PubChem CID 55178372) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
PubChem CID55178372
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2ccccc2C)CCNCC1
InChIInChI=1S/C17H28N2/c1-4-9-17(10-12-18-13-11-17)14-19(3)16-8-6-5-7-15(16)2/h5-8,18H,4,9-14H2,1-3H3
InChIKeyKJSWWDCUSGVYAC-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (CID 55178372) is N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is CCCC1(CN(C)c2ccccc2C)CCNCC1.
What is the InChIKey of N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The InChIKey is KJSWWDCUSGVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-9-17(10-12-18-13-11-17)14-19(3)16-8-6-5-7-15(16)2/h5-8,18H,4,9-14H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 55178372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).