N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline

C17H27ClN2 — CID 63502704

IUPACN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
SMILESCC(C)(C)C1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)14-8-11-20(12-9-14)13-10-19-16-7-5-4-6-15(16)18/h4-7,14,19H,8-13H2,1-3H3
InChIKeyHNSDOTNJZHNXSK-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.51
Rot. Bonds4

About N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline

N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline (PubChem CID 63502704) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
PubChem CID63502704
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
SMILESCC(C)(C)C1CCN(CCNc2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)14-8-11-20(12-9-14)13-10-19-16-7-5-4-6-15(16)18/h4-7,14,19H,8-13H2,1-3H3
InChIKeyHNSDOTNJZHNXSK-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline (CID 63502704) is N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline is CC(C)(C)C1CCN(CCNc2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline?
The InChIKey is HNSDOTNJZHNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-17(2,3)14-8-11-20(12-9-14)13-10-19-16-7-5-4-6-15(16)18/h4-7,14,19H,8-13H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline?
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline has a molecular weight of 294.87 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline is sourced from PubChem (CID 63502704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).