N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine

C16H28N2 — CID 126724696

IUPACN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2=CC=C(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28N2/c1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15/h5,7,15,17H,6,8-12H2,1-4H3
InChIKeyXHXOYFLZOJBQLX-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.32
Rot. Bonds2

About N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine

N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine (PubChem CID 126724696) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine
PubChem CID126724696
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NC2=CC=C(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H28N2/c1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15/h5,7,15,17H,6,8-12H2,1-4H3
InChIKeyXHXOYFLZOJBQLX-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine (CID 126724696) is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine is CN1CCC(NC2=CC=C(C(C)(C)C)CC2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine?
The InChIKey is XHXOYFLZOJBQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-16(2,3)13-5-7-14(8-6-13)17-15-9-11-18(4)12-10-15/h5,7,15,17H,6,8-12H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine?
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine has a molecular weight of 248.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 126724696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).